(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one

C16H15FO — CID 129364574

IUPAC(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
SMILESCC(=O)[C@H](Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H15FO/c1-12(18)16(14-5-3-2-4-6-14)11-13-7-9-15(17)10-8-13/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKeyGOTWWNKVRONWHC-INIZCTEOSA-N
MW242.29 g/mol
LogP3.74
Rot. Bonds4

About (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one

(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one (PubChem CID 129364574) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one.

Molecular Properties

Compound Name(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
PubChem CID129364574
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
SMILESCC(=O)[C@H](Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H15FO/c1-12(18)16(14-5-3-2-4-6-14)11-13-7-9-15(17)10-8-13/h2-10,16H,11H2,1H3/t16-/m0/s1
InChIKeyGOTWWNKVRONWHC-INIZCTEOSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
4-(4-methylphenyl)-3-phenylbutan-2-amine;4-(4-methylphenyl)-3-phenylbutan-2-one
CID 162155664
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide
CID 110166005
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
3-bromo-4-(4-fluorophenyl)butan-2-one
CID 62395510
N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110166037
N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110165955
(2S)-2,3-diphenylpropanoic acid
CID 737125
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one?
The IUPAC name of (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one (CID 129364574) is (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one.
What is the SMILES notation for (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one?
The canonical SMILES for (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one is CC(=O)[C@H](Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one?
The InChIKey is GOTWWNKVRONWHC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15FO/c1-12(18)16(14-5-3-2-4-6-14)11-13-7-9-15(17)10-8-13/h2-10,16H,11H2,1H3/t16-/m0/s1.
What are the key properties of (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one?
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one has a molecular weight of 242.29 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one is sourced from PubChem (CID 129364574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).