1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one

C17H16F2O — CID 24726367

IUPAC1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
SMILESCc1ccc(C)c(CCC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H16F2O/c1-11-3-4-12(2)13(9-11)5-8-17(20)15-7-6-14(18)10-16(15)19/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyPYHVAEDWEMCOIA-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.40
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one

1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one (PubChem CID 24726367) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
PubChem CID24726367
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
SMILESCc1ccc(C)c(CCC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H16F2O/c1-11-3-4-12(2)13(9-11)5-8-17(20)15-7-6-14(18)10-16(15)19/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyPYHVAEDWEMCOIA-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
1-(2,4-difluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one
CID 24726261
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
1-(2-fluoro-4-methylphenyl)butan-1-one
CID 83957348
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029336
1-(3-chloro-4-fluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726352
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726186
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 110815318
1-(2,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726641
1-(2,4-difluorophenyl)-2-(2,4-dimethylphenyl)sulfanylethanone
CID 43220232

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one (CID 24726367) is 1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one is Cc1ccc(C)c(CCC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
The InChIKey is PYHVAEDWEMCOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-11-3-4-12(2)13(9-11)5-8-17(20)15-7-6-14(18)10-16(15)19/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one?
1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one has a molecular weight of 274.31 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 24726367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).