Ethanol, trifluoro-

HCID 185647

Notes Reactions

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Basic information

CAS: 28606-06-6
Standard SMILES: OC(F)(F)CF
InChIKey: UWHSOAQTULYJLH-UHFFFAOYSA-N
Molecular formula: C2H3F3O
Average molar mass: 100.04 g/mol
Monoisotopic mass: 100.01359938

Names & identifiers

Preferred name: Ethanol, trifluoro-
IUPAC: 1,1,2-trifluoroethanol

Names & synonyms

Ethanol, trifluoro-28606-06-61,1,2-Trifluoroethan-1-olSCHEMBL9054SCHEMBL9852SCHEMBL2330856SCHEMBL7111729CHEMBL3814876SCHEMBL17311848DTXSID90951274UWHSOAQTULYJLH-UHFFFAOYSA-N

Database identifiers

CAS: 28606-06-6
PubChem CID: 185647
DTXSID: DTXSID90951274
ChEMBL: CHEMBL3814876
Nikkaji: J651.786B

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 44.1

Related reactions

40 records

New reaction record

HRID 105553As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 122020As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 172631As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 197543As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 283874As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 289758As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 292410As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 305983As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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