2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one

C25H18F2O — CID 135032887

IUPAC2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one
SMILESO=C(c1ccc2ccccc2c1)C(Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H18F2O/c26-22-11-5-17(6-12-22)15-24(19-9-13-23(27)14-10-19)25(28)21-8-7-18-3-1-2-4-20(18)16-21/h1-14,16,24H,15H2
InChIKeyFOZGPTSQYRTYJU-UHFFFAOYSA-N
MW372.41 g/mol
LogP6.33
Rot. Bonds5

About 2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one

2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one (PubChem CID 135032887) has the molecular formula C25H18F2O and a molecular weight of 372.41 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one
PubChem CID135032887
Molecular FormulaC25H18F2O
Molecular Weight372.41 g/mol
Exact Mass372.13
IUPAC Name2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one
SMILESO=C(c1ccc2ccccc2c1)C(Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H18F2O/c26-22-11-5-17(6-12-22)15-24(19-9-13-23(27)14-10-19)25(28)21-8-7-18-3-1-2-4-20(18)16-21/h1-14,16,24H,15H2
InChIKeyFOZGPTSQYRTYJU-UHFFFAOYSA-N
XLogP6.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.41
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl (2S)-2-fluoro-4-(4-fluorophenyl)-5-naphthalen-2-yl-5-oxopentanoate
CID 175896712
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
2-[1-bromo-2-(4-fluorophenyl)ethyl]naphthalene
CID 63542085
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
CID 102389148
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
N-[(2S)-1-(4-fluorophenyl)-3-oxo-7-phenylheptan-2-yl]naphthalene-2-carboxamide
CID 161200705
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one
CID 143696076
4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid
CID 22185202
3-[4-[2,3-bis(4-fluorophenyl)-3-oxopropyl]phenyl]-1,2-oxazole-5-carboxylic acid
CID 70683307
2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one
CID 13379507
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one (CID 135032887) is 2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one is O=C(c1ccc2ccccc2c1)C(Cc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one?
The InChIKey is FOZGPTSQYRTYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2O/c26-22-11-5-17(6-12-22)15-24(19-9-13-23(27)14-10-19)25(28)21-8-7-18-3-1-2-4-20(18)16-21/h1-14,16,24H,15H2.
What are the key properties of 2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one?
2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one has a molecular weight of 372.41 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 135032887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).