(1S)-2,2,2-trifluoro-1-phenylethanol

C8H7F3O — CID 1472401

IUPAC(1S)-2,2,2-trifluoro-1-phenylethanol
SMILESO[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m0/s1
InChIKeyVNOMEAQPOMDWSR-ZETCQYMHSA-N
MW176.14 g/mol
LogP2.28
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-phenylethanol

(1S)-2,2,2-trifluoro-1-phenylethanol (PubChem CID 1472401) has the molecular formula C8H7F3O and a molecular weight of 176.14 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-phenylethanol
PubChem CID1472401
Molecular FormulaC8H7F3O
Molecular Weight176.14 g/mol
Exact Mass176.04
IUPAC Name(1S)-2,2,2-trifluoro-1-phenylethanol
SMILESO[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m0/s1
InChIKeyVNOMEAQPOMDWSR-ZETCQYMHSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-phenylethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-phenylethanol (CID 1472401) is (1S)-2,2,2-trifluoro-1-phenylethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-phenylethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-phenylethanol is O[C@@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-phenylethanol?
The InChIKey is VNOMEAQPOMDWSR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-phenylethanol?
(1S)-2,2,2-trifluoro-1-phenylethanol has a molecular weight of 176.14 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-phenylethanol is sourced from PubChem (CID 1472401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).