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1,1,1,3,3,3-hexafluoro-2-propanol

fo-e03ab159320bc1e3

Identity

Type
Neutral molecule
CAS
920-66-1
EC
213-059-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,1,1,3,3,3-hexafluoro-2-propanol

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BYEAHWXPCBROCE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
IUPAC name chemrof:IUPAC_name 1,1,1,3,3,3-hexafluoro-2-propanol
Molecular formula chemrof:molecular_formula C3H2F6O
Molecular mass chemrof:molecular_mass 168.036
Monoisotopic mass chemrof:monoisotopic_mass 168.00098, 168.000984
SMILES string chemrof:smiles_string OC(C(F)(F)F)C(F)(F)F

Known URLs

18

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=920-66-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63104 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.873 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1022134 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=96336 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1231750 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3D632GYQ50 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0060648 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.987F enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA166232681 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13529 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1760 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/12138006 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14979101 enrich_references.chebi_xrefs
reaxys reaxys:1841007 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q1123466 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Hexafluoro-2-propanol enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Hexafluoroisopropyl_alcohol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
172b00f6-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
08a91e70-3ddc-11dd-90db-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
edd3c494-de32-40f4-b969-f3c28da3158f Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a133-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 2
08a91e70-3ddc-11dd-90cd-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
fe0acd60-3ddc-11dd-a132-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
172b00f4-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 4
172b00f7-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 4
172b00f9-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 4
172b00fb-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
172b00f8-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 4
172b00f5-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 4
172b00fa-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e03ab159320bc1e3",
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  ],
  "altLabel": [
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    },
    {
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