(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone

C14H17F2NO — CID 116917605

IUPAC(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2NO/c1-17-11-5-2-9(3-6-11)14(18)10-4-7-12(15)13(16)8-10/h4,7-9,11,17H,2-3,5-6H2,1H3
InChIKeyAILPAVSOPYKRLM-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.93
Rot. Bonds3

About (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone

(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone (PubChem CID 116917605) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
PubChem CID116917605
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2NO/c1-17-11-5-2-9(3-6-11)14(18)10-4-7-12(15)13(16)8-10/h4,7-9,11,17H,2-3,5-6H2,1H3
InChIKeyAILPAVSOPYKRLM-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone 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

(3,4-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105098223
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone
CID 116917614
(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917587
4-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664
cyclopropyl-(3,4,5-trifluorophenyl)methanone
CID 24724112
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
(4-fluoro-3-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790630
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824695
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 9234157
(4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 64775002

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone (CID 116917605) is (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone is CNC1CCC(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone?
The InChIKey is AILPAVSOPYKRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-17-11-5-2-9(3-6-11)14(18)10-4-7-12(15)13(16)8-10/h4,7-9,11,17H,2-3,5-6H2,1H3.
What are the key properties of (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone?
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone has a molecular weight of 253.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone is sourced from PubChem (CID 116917605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).