3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one

C16H18F2O — CID 59346077

IUPAC3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one
SMILESO=C1CC(C2CCC(c3cccc(F)c3F)CC2)C1
InChIInChI=1S/C16H18F2O/c17-15-3-1-2-14(16(15)18)11-6-4-10(5-7-11)12-8-13(19)9-12/h1-3,10-12H,4-9H2
InChIKeyOHXQEFVUEILQFY-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.22
Rot. Bonds2

About 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one

3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one (PubChem CID 59346077) has the molecular formula C16H18F2O and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one
PubChem CID59346077
Molecular FormulaC16H18F2O
Molecular Weight264.31 g/mol
Exact Mass264.13
IUPAC Name3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one
SMILESO=C1CC(C2CCC(c3cccc(F)c3F)CC2)C1
InChIInChI=1S/C16H18F2O/c17-15-3-1-2-14(16(15)18)11-6-4-10(5-7-11)12-8-13(19)9-12/h1-3,10-12H,4-9H2
InChIKeyOHXQEFVUEILQFY-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one?
The IUPAC name of 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one (CID 59346077) is 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one.
What is the SMILES notation for 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one?
The canonical SMILES for 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one is O=C1CC(C2CCC(c3cccc(F)c3F)CC2)C1.
What is the InChIKey of 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one?
The InChIKey is OHXQEFVUEILQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2O/c17-15-3-1-2-14(16(15)18)11-6-4-10(5-7-11)12-8-13(19)9-12/h1-3,10-12H,4-9H2.
What are the key properties of 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one?
3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one has a molecular weight of 264.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-difluorophenyl)cyclohexyl]cyclobutan-1-one is sourced from PubChem (CID 59346077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).