1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone

C17H16F2O — CID 142331657

IUPAC1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
SMILESCCCc1ccc(-c2ccc(C(C)=O)cc2)c(F)c1F
InChIInChI=1S/C17H16F2O/c1-3-4-14-9-10-15(17(19)16(14)18)13-7-5-12(6-8-13)11(2)20/h5-10H,3-4H2,1-2H3
InChIKeyQEKJXNYFNMODIM-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.79
Rot. Bonds4

About 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone

1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone (PubChem CID 142331657) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
PubChem CID142331657
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
SMILESCCCc1ccc(-c2ccc(C(C)=O)cc2)c(F)c1F
InChIInChI=1S/C17H16F2O/c1-3-4-14-9-10-15(17(19)16(14)18)13-7-5-12(6-8-13)11(2)20/h5-10H,3-4H2,1-2H3
InChIKeyQEKJXNYFNMODIM-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone 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

1-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331692
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331585
methyl 4-[2,3-difluoro-4-(4-propylphenyl)phenyl]benzoate
CID 142331543
2,3-difluoro-1-[4-(3-fluoro-4-iodophenyl)phenyl]-4-propylbenzene
CID 10961394
1-[4-[2-(4-ethyl-3-fluorophenyl)ethynyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 58141688
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354
(3,4-difluorophenyl) 3-[4-(2,3-difluoro-4-propylphenyl)phenyl]propanoate
CID 118858708
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone (CID 142331657) is 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone is CCCc1ccc(-c2ccc(C(C)=O)cc2)c(F)c1F.
What is the InChIKey of 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone?
The InChIKey is QEKJXNYFNMODIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-3-4-14-9-10-15(17(19)16(14)18)13-7-5-12(6-8-13)11(2)20/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone?
1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone has a molecular weight of 274.31 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone is sourced from PubChem (CID 142331657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).