(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol

C6H5F3O2 — CID 7171782

IUPAC(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol
SMILESO[C@@H](c1ccco1)C(F)(F)F
InChIInChI=1S/C6H5F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H/t5-/m0/s1
InChIKeyJXBLKXYDFYQLOD-YFKPBYRVSA-N
MW166.10 g/mol
LogP1.88
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol

(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol (PubChem CID 7171782) has the molecular formula C6H5F3O2 and a molecular weight of 166.10 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol
PubChem CID7171782
Molecular FormulaC6H5F3O2
Molecular Weight166.10 g/mol
Exact Mass166.02
IUPAC Name(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol
SMILESO[C@@H](c1ccco1)C(F)(F)F
InChIInChI=1S/C6H5F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H/t5-/m0/s1
InChIKeyJXBLKXYDFYQLOD-YFKPBYRVSA-N
XLogP1.88
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1,3-bis(furan-2-yl)propane-1,3-diol
CID 10105858
2,2,2-trichloro-1-(furan-2-yl)ethanol
CID 11356360
(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride
CID 131879129
1-(furan-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 130589665
2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol
CID 66743675
3,3,3-trifluoro-1-(furan-2-yl)-2-(trifluoromethyl)propan-1-amine
CID 103309644
(3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide
CID 70229752
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
(2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide
CID 10955771
(3S)-4,4,4-trifluoro-3-(furan-2-yl)butanoic acid
CID 129375360
1-(furan-2-yl)-2-methyl-2-nitropropan-1-ol
CID 12946482
(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol
CID 130700545

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol (CID 7171782) is (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol is O[C@@H](c1ccco1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol?
The InChIKey is JXBLKXYDFYQLOD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H5F3O2/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5,10H/t5-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol?
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol has a molecular weight of 166.10 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol is sourced from PubChem (CID 7171782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).