3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine

C12H14Cl2FN — CID 112567366

IUPAC3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H14Cl2FN/c13-10-4-3-8(6-11(10)14)12(15)5-1-2-9(16)7-12/h3-4,6,9H,1-2,5,7,16H2
InChIKeyPTNUVQGIBFDEOE-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.06
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine

3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine (PubChem CID 112567366) has the molecular formula C12H14Cl2FN and a molecular weight of 262.15 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
PubChem CID112567366
Molecular FormulaC12H14Cl2FN
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine
SMILESNC1CCCC(F)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H14Cl2FN/c13-10-4-3-8(6-11(10)14)12(15)5-1-2-9(16)7-12/h3-4,6,9H,1-2,5,7,16H2
InChIKeyPTNUVQGIBFDEOE-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine 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

4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine
CID 112562268
3-fluoro-3-naphthalen-2-ylcyclohexan-1-amine
CID 112567408
3-amino-1-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-ol
CID 102617388
3-fluoro-3-(1-methylpyrazol-4-yl)cyclohexan-1-amine
CID 112567374
3-(2,5-difluorophenyl)-3-fluorocyclohexan-1-amine
CID 112567534
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 114013147
3-fluoro-3-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 112567552
1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514572
3-(3-amino-1-fluorocyclohexyl)-4-methylpyridin-2-amine
CID 112567459
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine (CID 112567366) is 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine is NC1CCCC(F)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine?
The InChIKey is PTNUVQGIBFDEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FN/c13-10-4-3-8(6-11(10)14)12(15)5-1-2-9(16)7-12/h3-4,6,9H,1-2,5,7,16H2.
What are the key properties of 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine?
3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine has a molecular weight of 262.15 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 112567366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).