2-chloro-6-fluoro-N-phenylaniline

C12H9ClFN — CID 18546408

IUPAC2-chloro-6-fluoro-N-phenylaniline
SMILESFc1cccc(Cl)c1Nc1ccccc1
InChIInChI=1S/C12H9ClFN/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
InChIKeyLGERZUPBWRBUKR-UHFFFAOYSA-N
MW221.66 g/mol
LogP4.22
Rot. Bonds2

About 2-chloro-6-fluoro-N-phenylaniline

2-chloro-6-fluoro-N-phenylaniline (PubChem CID 18546408) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-phenylaniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-phenylaniline
PubChem CID18546408
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name2-chloro-6-fluoro-N-phenylaniline
SMILESFc1cccc(Cl)c1Nc1ccccc1
InChIInChI=1S/C12H9ClFN/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
InChIKeyLGERZUPBWRBUKR-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-6-fluoro-N-phenylaniline 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

2,6-difluoro-N-phenylaniline
CID 13387559
2-bromo-6-chloro-N-phenylaniline
CID 14369715
N-(3-chlorophenyl)-2,6-difluoroaniline
CID 82536842
3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine
CID 101426182
2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline
CID 82297673
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
4-(2,6-dichloroanilino)benzoic acid
CID 65499202
2,6-difluoro-1-N-phenylbenzene-1,4-diamine
CID 61017044
N-(2-chloro-6-fluorophenyl)-1-methylimidazol-2-amine
CID 106582347
3-bromo-5-chloro-N-(2-chloro-6-fluorophenyl)pyridin-2-amine
CID 114837428
3-fluoro-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 115125636
2-(2-chloro-6-methylanilino)-3-fluorobenzoic acid
CID 66257062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-phenylaniline?
The IUPAC name of 2-chloro-6-fluoro-N-phenylaniline (CID 18546408) is 2-chloro-6-fluoro-N-phenylaniline.
What is the SMILES notation for 2-chloro-6-fluoro-N-phenylaniline?
The canonical SMILES for 2-chloro-6-fluoro-N-phenylaniline is Fc1cccc(Cl)c1Nc1ccccc1.
What is the InChIKey of 2-chloro-6-fluoro-N-phenylaniline?
The InChIKey is LGERZUPBWRBUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H.
What are the key properties of 2-chloro-6-fluoro-N-phenylaniline?
2-chloro-6-fluoro-N-phenylaniline has a molecular weight of 221.66 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-phenylaniline is sourced from PubChem (CID 18546408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).