1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone

C18H18F2O — CID 115481784

IUPAC1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone
SMILESCCc1ccc(C(=O)Cc2ccc(F)c(F)c2)cc1CC
InChIInChI=1S/C18H18F2O/c1-3-13-6-7-15(11-14(13)4-2)18(21)10-12-5-8-16(19)17(20)9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyKXFGUIYPOFLMDU-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.51
Rot. Bonds5

About 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone

1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone (PubChem CID 115481784) has the molecular formula C18H18F2O and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone
PubChem CID115481784
Molecular FormulaC18H18F2O
Molecular Weight288.34 g/mol
Exact Mass288.13
IUPAC Name1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone
SMILESCCc1ccc(C(=O)Cc2ccc(F)c(F)c2)cc1CC
InChIInChI=1S/C18H18F2O/c1-3-13-6-7-15(11-14(13)4-2)18(21)10-12-5-8-16(19)17(20)9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyKXFGUIYPOFLMDU-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)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-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736597
2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114963475
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683
1-(3,4-difluorophenyl)heptan-1-one
CID 62622808
1-(3,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726642
2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105124609
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
1-(3,4-difluorophenyl)pentane-1,3-dione
CID 23234486
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107884087

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone?
The IUPAC name of 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone (CID 115481784) is 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone is CCc1ccc(C(=O)Cc2ccc(F)c(F)c2)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone?
The InChIKey is KXFGUIYPOFLMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O/c1-3-13-6-7-15(11-14(13)4-2)18(21)10-12-5-8-16(19)17(20)9-12/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone?
1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone has a molecular weight of 288.34 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone is sourced from PubChem (CID 115481784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).