1-(2,6-difluorophenyl)-2-phenylbutan-1-one

C16H14F2O — CID 114972889

IUPAC1-(2,6-difluorophenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H14F2O/c1-2-12(11-7-4-3-5-8-11)16(19)15-13(17)9-6-10-14(15)18/h3-10,12H,2H2,1H3
InChIKeyPYNYAAAREUMDLG-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.34
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-phenylbutan-1-one

1-(2,6-difluorophenyl)-2-phenylbutan-1-one (PubChem CID 114972889) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-phenylbutan-1-one
PubChem CID114972889
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name1-(2,6-difluorophenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H14F2O/c1-2-12(11-7-4-3-5-8-11)16(19)15-13(17)9-6-10-14(15)18/h3-10,12H,2H2,1H3
InChIKeyPYNYAAAREUMDLG-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,6-difluorophenyl)-2-phenylbutan-1-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

2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone
CID 81235854
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
CID 146005749
1-(2-chloro-3-fluorophenyl)-3-phenylpentan-2-one
CID 115797326
2-phenyl-1-(1H-pyrrol-2-yl)butan-1-one
CID 63748008
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylbutan-1-one
CID 81045808
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
(2R)-2-phenylbutanamide
CID 139147476

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-phenylbutan-1-one?
The IUPAC name of 1-(2,6-difluorophenyl)-2-phenylbutan-1-one (CID 114972889) is 1-(2,6-difluorophenyl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-phenylbutan-1-one is CCC(C(=O)c1c(F)cccc1F)c1ccccc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-phenylbutan-1-one?
The InChIKey is PYNYAAAREUMDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-2-12(11-7-4-3-5-8-11)16(19)15-13(17)9-6-10-14(15)18/h3-10,12H,2H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-phenylbutan-1-one?
1-(2,6-difluorophenyl)-2-phenylbutan-1-one has a molecular weight of 260.28 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-phenylbutan-1-one is sourced from PubChem (CID 114972889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).