1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one

C16H14F2O — CID 82920094

IUPAC1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H14F2O/c1-11-2-4-12(5-3-11)8-14(19)9-13-6-7-15(17)16(18)10-13/h2-7,10H,8-9H2,1H3
InChIKeySEWJCRDDBHDSDW-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.63
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one

1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one (PubChem CID 82920094) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
PubChem CID82920094
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H14F2O/c1-11-2-4-12(5-3-11)8-14(19)9-13-6-7-15(17)16(18)10-13/h2-7,10H,8-9H2,1H3
InChIKeySEWJCRDDBHDSDW-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 82919520
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965782
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one
CID 115786755
methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481
1-(tert-butylamino)-3-(3,4-difluorophenyl)propan-2-one
CID 116588965
[2-chloro-5-[3-(3,4-difluorophenyl)-2-oxopropyl]phenyl]-methyl-oxoazanium
CID 164954763
1-(4-chloro-3-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 107890911
N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide
CID 55592767
1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 91020415
1-(3,4-difluorophenyl)-6-methylheptan-2-one
CID 115795494

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one (CID 82920094) is 1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one is Cc1ccc(CC(=O)Cc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one?
The InChIKey is SEWJCRDDBHDSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-11-2-4-12(5-3-11)8-14(19)9-13-6-7-15(17)16(18)10-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one?
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one has a molecular weight of 260.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 82920094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).