1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone

C17H22F2O — CID 105085826

IUPAC1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)C2CCC(F)(F)CC2)c(C)c1
InChIInChI=1S/C17H22F2O/c1-11-8-12(2)15(13(3)9-11)10-16(20)14-4-6-17(18,19)7-5-14/h8-9,14H,4-7,10H2,1-3H3
InChIKeyQOXWTJFPDAFXDI-UHFFFAOYSA-N
MW280.36 g/mol
LogP4.55
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone

1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 105085826) has the molecular formula C17H22F2O and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID105085826
Molecular FormulaC17H22F2O
Molecular Weight280.36 g/mol
Exact Mass280.16
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)C2CCC(F)(F)CC2)c(C)c1
InChIInChI=1S/C17H22F2O/c1-11-8-12(2)15(13(3)9-11)10-16(20)14-4-6-17(18,19)7-5-14/h8-9,14H,4-7,10H2,1-3H3
InChIKeyQOXWTJFPDAFXDI-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)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-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 70255424
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376737
1-(3-bicyclo[3.1.0]hexanyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966066
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanone
CID 105086176
1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-one
CID 63351672
1-methyl-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylic acid
CID 54542229
2-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentan-1-one
CID 70255999
1-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123784
[1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105292742
carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 70256242
4-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 65395327
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone (CID 105085826) is 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)C2CCC(F)(F)CC2)c(C)c1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is QOXWTJFPDAFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O/c1-11-8-12(2)15(13(3)9-11)10-16(20)14-4-6-17(18,19)7-5-14/h8-9,14H,4-7,10H2,1-3H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone?
1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 280.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 105085826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).