N-(3-chlorophenyl)-2,6-difluoroaniline

C12H8ClF2N — CID 82536842

IUPACN-(3-chlorophenyl)-2,6-difluoroaniline
SMILESFc1cccc(F)c1Nc1cccc(Cl)c1
InChIInChI=1S/C12H8ClF2N/c13-8-3-1-4-9(7-8)16-12-10(14)5-2-6-11(12)15/h1-7,16H
InChIKeyVEOHQEJNAYJYAU-UHFFFAOYSA-N
MW239.65 g/mol
LogP4.36
Rot. Bonds2

About N-(3-chlorophenyl)-2,6-difluoroaniline

N-(3-chlorophenyl)-2,6-difluoroaniline (PubChem CID 82536842) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,6-difluoroaniline.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,6-difluoroaniline
PubChem CID82536842
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC NameN-(3-chlorophenyl)-2,6-difluoroaniline
SMILESFc1cccc(F)c1Nc1cccc(Cl)c1
InChIInChI=1S/C12H8ClF2N/c13-8-3-1-4-9(7-8)16-12-10(14)5-2-6-11(12)15/h1-7,16H
InChIKeyVEOHQEJNAYJYAU-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-chlorophenyl)-2,6-difluoroaniline 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-chloroanilino)-3,5-difluorobenzoic acid
CID 63184063
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
2,6-difluoro-N-phenylaniline
CID 13387559
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
N-(3-chlorophenyl)-4-fluoronaphthalen-1-amine
CID 69169805
2-chloro-6-fluoro-N-phenylaniline
CID 18546408
N-(3-chlorophenyl)-3-fluoro-4-methoxyaniline
CID 82536944
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
1-(3-chlorophenyl)-2-fluorohydrazine;hydrochloride
CID 55263538
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112878014

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,6-difluoroaniline?
The IUPAC name of N-(3-chlorophenyl)-2,6-difluoroaniline (CID 82536842) is N-(3-chlorophenyl)-2,6-difluoroaniline.
What is the SMILES notation for N-(3-chlorophenyl)-2,6-difluoroaniline?
The canonical SMILES for N-(3-chlorophenyl)-2,6-difluoroaniline is Fc1cccc(F)c1Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2,6-difluoroaniline?
The InChIKey is VEOHQEJNAYJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-8-3-1-4-9(7-8)16-12-10(14)5-2-6-11(12)15/h1-7,16H.
What are the key properties of N-(3-chlorophenyl)-2,6-difluoroaniline?
N-(3-chlorophenyl)-2,6-difluoroaniline has a molecular weight of 239.65 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,6-difluoroaniline is sourced from PubChem (CID 82536842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).