(4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one

C11H11F3O2 — CID 744419

IUPAC(4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one
SMILESCC(=O)C[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-8(15)7-10(16,11(12,13)14)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3/t10-/m0/s1
InChIKeyVJAXMKZOQDXQPI-JTQLQIEISA-N
MW232.20 g/mol
LogP2.42
Rot. Bonds3

About (4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one

(4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one (PubChem CID 744419) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is (4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one.

Molecular Properties

Compound Name(4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one
PubChem CID744419
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name(4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one
SMILESCC(=O)C[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O2/c1-8(15)7-10(16,11(12,13)14)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3/t10-/m0/s1
InChIKeyVJAXMKZOQDXQPI-JTQLQIEISA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mls002638215
CID 223673
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CID 227383
4,4,4-Trifluoro-3-hydroxy-3-phenylbutanoic acid
CID 3879446
Stk329392
CID 11041240
(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
CID 5290861
6,6,7,7-Tetrafluoro-5-hydroxy-1,5-diphenyl-1-hepten-3-one
CID 5290862
3-[alpha-Hydroxy-4-(trifluoromethyl)benzyl]-3-butene-2-one
CID 9859651
1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)heptan-4-one
CID 59101
Ethyl 3-hydroxy-3-phenylbutanoate
CID 220801
3,3,3-Trifluoro-2-hydroxy-2-phenylpropanoic acid
CID 9855943
3-Hydroxy-3-phenylbutan-2-one
CID 233220
3-Hydroxy-3-phenylpentanoic acid
CID 297250

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one?
The IUPAC name of (4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one (CID 744419) is (4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one.
What is the SMILES notation for (4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one?
The canonical SMILES for (4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one is CC(=O)C[C@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one?
The InChIKey is VJAXMKZOQDXQPI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11F3O2/c1-8(15)7-10(16,11(12,13)14)9-5-3-2-4-6-9/h2-6,16H,7H2,1H3/t10-/m0/s1.
What are the key properties of (4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one?
(4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one has a molecular weight of 232.20 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5,5-trifluoro-4-hydroxy-4-phenylpentan-2-one is sourced from PubChem (CID 744419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).