(2S)-1,1,1-trifluoro-4-phenylbutan-2-ol

C10H11F3O — CID 13299810

IUPAC(2S)-1,1,1-trifluoro-4-phenylbutan-2-ol
SMILESO[C@@H](CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2/t9-/m0/s1
InChIKeyDPWYMKBFPOUIEN-VIFPVBQESA-N
MW204.19 g/mol
LogP2.54
Rot. Bonds3

About (2S)-1,1,1-trifluoro-4-phenylbutan-2-ol

(2S)-1,1,1-trifluoro-4-phenylbutan-2-ol (PubChem CID 13299810) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-4-phenylbutan-2-ol
PubChem CID13299810
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name(2S)-1,1,1-trifluoro-4-phenylbutan-2-ol
SMILESO[C@@H](CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2/t9-/m0/s1
InChIKeyDPWYMKBFPOUIEN-VIFPVBQESA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.54
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-4-phenylbutan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-4-phenylbutan-2-ol (CID 13299810) is (2S)-1,1,1-trifluoro-4-phenylbutan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-4-phenylbutan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-4-phenylbutan-2-ol is O[C@@H](CCc1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-4-phenylbutan-2-ol?
The InChIKey is DPWYMKBFPOUIEN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2/t9-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-4-phenylbutan-2-ol?
(2S)-1,1,1-trifluoro-4-phenylbutan-2-ol has a molecular weight of 204.19 g/mol, XLogP of 2.54, 3 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-4-phenylbutan-2-ol is sourced from PubChem (CID 13299810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).