(4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one

C17H15F3O — CID 166443210

IUPAC(4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one
SMILESCC(=O)C[C@@H](c1cccc(-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C17H15F3O/c1-12(21)10-16(17(18,19)20)15-9-5-8-14(11-15)13-6-3-2-4-7-13/h2-9,11,16H,10H2,1H3/t16-/m0/s1
InChIKeySQEKAXDHNWLLPF-INIZCTEOSA-N
MW292.30 g/mol
LogP4.98
Rot. Bonds4

About (4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one

(4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one (PubChem CID 166443210) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is (4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one.

Molecular Properties

Compound Name(4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one
PubChem CID166443210
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name(4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one
SMILESCC(=O)C[C@@H](c1cccc(-c2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C17H15F3O/c1-12(21)10-16(17(18,19)20)15-9-5-8-14(11-15)13-6-3-2-4-7-13/h2-9,11,16H,10H2,1H3/t16-/m0/s1
InChIKeySQEKAXDHNWLLPF-INIZCTEOSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-oxo-2-(3-phenylphenyl)butanoic acid
CID 139972260
4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid
CID 119188017
methyl 4,4,4-trifluoro-3-(3-hydroxyphenyl)butanoate
CID 71018559
1,2-diphenylpentane-1,4-dione
CID 13184730
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
tert-butyl 3-amino-3-(3-phenylphenyl)propanoate
CID 90850657
3-phenyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 119165660
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
(3R)-3-amino-2,2-difluoro-3-(3-phenylphenyl)propan-1-ol
CID 171244503
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one?
The IUPAC name of (4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one (CID 166443210) is (4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one.
What is the SMILES notation for (4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one?
The canonical SMILES for (4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one is CC(=O)C[C@@H](c1cccc(-c2ccccc2)c1)C(F)(F)F.
What is the InChIKey of (4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one?
The InChIKey is SQEKAXDHNWLLPF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15F3O/c1-12(21)10-16(17(18,19)20)15-9-5-8-14(11-15)13-6-3-2-4-7-13/h2-9,11,16H,10H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one?
(4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one has a molecular weight of 292.30 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5,5-trifluoro-4-(3-phenylphenyl)pentan-2-one is sourced from PubChem (CID 166443210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).