1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one

C11H18F2O — CID 105077543

IUPAC1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2O/c1-8(2)7-10(14)9-3-5-11(12,13)6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyGAAIMFJKVOWKNS-UHFFFAOYSA-N
MW204.26 g/mol
LogP3.43
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one

1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one (PubChem CID 105077543) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
PubChem CID105077543
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2O/c1-8(2)7-10(14)9-3-5-11(12,13)6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyGAAIMFJKVOWKNS-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one 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-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676
1-(4,4-difluorocyclohexyl)-3-methylhexan-1-one
CID 105091355
1-(3,3-difluorocyclohexyl)-3-methylbutan-1-one
CID 130484741
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
3-methyl-1-(thian-4-yl)butan-1-one
CID 82405633
3-methyl-1-(oxan-4-yl)butan-1-one
CID 63935044
4-(3-methylbutanoyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 58038974
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765
1-(4,4-difluorocyclohexyl)-4,4-dimethylpentan-1-one
CID 105093364
1-(4,4-difluorocyclohexyl)hex-4-yn-1-one
CID 105129038
1-(4,4-difluorocyclohexyl)-4-methylsulfonylbutan-1-one
CID 105084255
1-(4,4-difluorocyclohexyl)-2-[methoxy(methyl)phosphoryl]ethanone
CID 174867298

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one (CID 105077543) is 1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one is CC(C)CC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one?
The InChIKey is GAAIMFJKVOWKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O/c1-8(2)7-10(14)9-3-5-11(12,13)6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one?
1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one has a molecular weight of 204.26 g/mol, XLogP of 3.43, 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)-3-methylbutan-1-one is sourced from PubChem (CID 105077543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).