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

C14H17ClFNO — CID 79119937

IUPAC4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
SMILESCN(Cc1c(F)cccc1Cl)C1CCC(=O)CC1
InChIInChI=1S/C14H17ClFNO/c1-17(10-5-7-11(18)8-6-10)9-12-13(15)3-2-4-14(12)16/h2-4,10H,5-9H2,1H3
InChIKeyWFZRKYPJZFWZMU-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.42
Rot. Bonds3

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

4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one (PubChem CID 79119937) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
PubChem CID79119937
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
SMILESCN(Cc1c(F)cccc1Cl)C1CCC(=O)CC1
InChIInChI=1S/C14H17ClFNO/c1-17(10-5-7-11(18)8-6-10)9-12-13(15)3-2-4-14(12)16/h2-4,10H,5-9H2,1H3
InChIKeyWFZRKYPJZFWZMU-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
CID 86940190
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974416
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,6-difluorobenzenesulfonamide
CID 38254380
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
4-[(5-bromo-2-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119859
2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81453111
1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 42897610
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039
2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120460

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one (CID 79119937) is 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one is CN(Cc1c(F)cccc1Cl)C1CCC(=O)CC1.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one?
The InChIKey is WFZRKYPJZFWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-17(10-5-7-11(18)8-6-10)9-12-13(15)3-2-4-14(12)16/h2-4,10H,5-9H2,1H3.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one?
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one has a molecular weight of 269.75 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one is sourced from PubChem (CID 79119937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).