1-(2,4-difluorophenyl)-4-phenylbutan-1-one

C16H14F2O — CID 63084036

IUPAC1-(2,4-difluorophenyl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2O/c17-13-9-10-14(15(18)11-13)16(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKeyVRZVXTGTALVJNC-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.17
Rot. Bonds5

About 1-(2,4-difluorophenyl)-4-phenylbutan-1-one

1-(2,4-difluorophenyl)-4-phenylbutan-1-one (PubChem CID 63084036) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-phenylbutan-1-one
PubChem CID63084036
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name1-(2,4-difluorophenyl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2O/c17-13-9-10-14(15(18)11-13)16(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKeyVRZVXTGTALVJNC-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide
CID 148674370
N-(3-aminopropyl)-N-benzyl-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 120649599
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
1-(2,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726641
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866857
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(2-methylsulfanylphenyl)-4-phenylbutan-1-one
CID 114969898
4-fluoro-2-(3-phenylpropoxy)benzoic acid
CID 107014329
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-one
CID 114969894
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 63773682
1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one
CID 43800781

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-phenylbutan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-4-phenylbutan-1-one (CID 63084036) is 1-(2,4-difluorophenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-phenylbutan-1-one is O=C(CCCc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-phenylbutan-1-one?
The InChIKey is VRZVXTGTALVJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c17-13-9-10-14(15(18)11-13)16(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2.
What are the key properties of 1-(2,4-difluorophenyl)-4-phenylbutan-1-one?
1-(2,4-difluorophenyl)-4-phenylbutan-1-one has a molecular weight of 260.28 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 63084036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).