2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one

C16H20ClFO — CID 55186341

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C16H20ClFO/c1-2-4-11-7-8-16(19)12(9-11)10-13-14(17)5-3-6-15(13)18/h3,5-6,11-12H,2,4,7-10H2,1H3
InChIKeyXZRFXLWUQUZCSP-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.81
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one

2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one (PubChem CID 55186341) has the molecular formula C16H20ClFO and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one
PubChem CID55186341
Molecular FormulaC16H20ClFO
Molecular Weight282.79 g/mol
Exact Mass282.12
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C16H20ClFO/c1-2-4-11-7-8-16(19)12(9-11)10-13-14(17)5-3-6-15(13)18/h3,5-6,11-12H,2,4,7-10H2,1H3
InChIKeyXZRFXLWUQUZCSP-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-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

2-[(2-chloro-6-nitrophenyl)methyl]-4-propylcyclohexan-1-one
CID 63747176
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-propylcyclohexan-1-one
CID 104792635
4-tert-butyl-2-[(2,6-difluorophenyl)methyl]cyclohexan-1-one
CID 114930703
2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
CID 62612678
2-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-one
CID 63399256
5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
CID 3024933
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425291
1-[(2-chloro-6-fluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880744
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912
2-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403409
2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one
CID 79227583
3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
CID 64513208

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one (CID 55186341) is 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one?
The InChIKey is XZRFXLWUQUZCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFO/c1-2-4-11-7-8-16(19)12(9-11)10-13-14(17)5-3-6-15(13)18/h3,5-6,11-12H,2,4,7-10H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one?
2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one has a molecular weight of 282.79 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 55186341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).