(2S)-1,1,1-trifluoro-3-phenylpropan-2-ol

C9H9F3O — CID 6933400

IUPAC(2S)-1,1,1-trifluoro-3-phenylpropan-2-ol
SMILESO[C@@H](Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H9F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5,8,13H,6H2/t8-/m0/s1
InChIKeyUPFLNTYTTUCHQN-QMMMGPOBSA-N
MW190.16 g/mol
LogP2.15
Rot. Bonds2

About (2S)-1,1,1-trifluoro-3-phenylpropan-2-ol

(2S)-1,1,1-trifluoro-3-phenylpropan-2-ol (PubChem CID 6933400) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-phenylpropan-2-ol
PubChem CID6933400
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name(2S)-1,1,1-trifluoro-3-phenylpropan-2-ol
SMILESO[C@@H](Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H9F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5,8,13H,6H2/t8-/m0/s1
InChIKeyUPFLNTYTTUCHQN-QMMMGPOBSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-phenylpropan-2-ol (CID 6933400) is (2S)-1,1,1-trifluoro-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-phenylpropan-2-ol is O[C@@H](Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-phenylpropan-2-ol?
The InChIKey is UPFLNTYTTUCHQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9F3O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5,8,13H,6H2/t8-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-phenylpropan-2-ol?
(2S)-1,1,1-trifluoro-3-phenylpropan-2-ol has a molecular weight of 190.16 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-phenylpropan-2-ol is sourced from PubChem (CID 6933400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).