(4R)-5-fluoro-4-phenylpentan-2-one

C11H13FO — CID 101477163

IUPAC(4R)-5-fluoro-4-phenylpentan-2-one
SMILESCC(=O)C[C@@H](CF)c1ccccc1
InChIInChI=1S/C11H13FO/c1-9(13)7-11(8-12)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyDRWAENSRULPAPL-NSHDSACASA-N
MW180.22 g/mol
LogP2.72
Rot. Bonds4

About (4R)-5-fluoro-4-phenylpentan-2-one

(4R)-5-fluoro-4-phenylpentan-2-one (PubChem CID 101477163) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (4R)-5-fluoro-4-phenylpentan-2-one.

Molecular Properties

Compound Name(4R)-5-fluoro-4-phenylpentan-2-one
PubChem CID101477163
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(4R)-5-fluoro-4-phenylpentan-2-one
SMILESCC(=O)C[C@@H](CF)c1ccccc1
InChIInChI=1S/C11H13FO/c1-9(13)7-11(8-12)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyDRWAENSRULPAPL-NSHDSACASA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-5-oxo-3-phenylhexanenitrile
CID 134857504
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
4-phenyl-4-phosphanylbutan-2-one
CID 175348302
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
(4S)-5-diethoxyphosphoryl-4-phenylpentan-2-one
CID 15200859
4-phenyl-6-(phenylsulfanylmethyl)hept-6-en-2-one
CID 10591071
(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
(3S)-N-(2-methylphenyl)-5-oxo-3-phenylhexanamide
CID 7026735
(1,5-difluoro-4-phenylpentan-2-yl)benzene
CID 59266877
1,2-diphenylpentane-1,4-dione
CID 13184730

Frequently Asked Questions

What is the IUPAC name of (4R)-5-fluoro-4-phenylpentan-2-one?
The IUPAC name of (4R)-5-fluoro-4-phenylpentan-2-one (CID 101477163) is (4R)-5-fluoro-4-phenylpentan-2-one.
What is the SMILES notation for (4R)-5-fluoro-4-phenylpentan-2-one?
The canonical SMILES for (4R)-5-fluoro-4-phenylpentan-2-one is CC(=O)C[C@@H](CF)c1ccccc1.
What is the InChIKey of (4R)-5-fluoro-4-phenylpentan-2-one?
The InChIKey is DRWAENSRULPAPL-NSHDSACASA-N. The full InChI is InChI=1S/C11H13FO/c1-9(13)7-11(8-12)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (4R)-5-fluoro-4-phenylpentan-2-one?
(4R)-5-fluoro-4-phenylpentan-2-one has a molecular weight of 180.22 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-fluoro-4-phenylpentan-2-one is sourced from PubChem (CID 101477163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).