2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline

C13H10ClF2N — CID 56608807

IUPAC2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline
SMILESCc1ccc(F)c(Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C13H10ClF2N/c1-8-5-6-10(15)12(7-8)17-13-9(14)3-2-4-11(13)16/h2-7,17H,1H3
InChIKeyVUQVYESJPXZVAA-UHFFFAOYSA-N
MW253.68 g/mol
LogP4.67
Rot. Bonds2

About 2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline

2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline (PubChem CID 56608807) has the molecular formula C13H10ClF2N and a molecular weight of 253.68 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline
PubChem CID56608807
Molecular FormulaC13H10ClF2N
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline
SMILESCc1ccc(F)c(Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C13H10ClF2N/c1-8-5-6-10(15)12(7-8)17-13-9(14)3-2-4-11(13)16/h2-7,17H,1H3
InChIKeyVUQVYESJPXZVAA-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline?
The IUPAC name of 2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline (CID 56608807) is 2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline is Cc1ccc(F)c(Nc2c(F)cccc2Cl)c1.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline?
The InChIKey is VUQVYESJPXZVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N/c1-8-5-6-10(15)12(7-8)17-13-9(14)3-2-4-11(13)16/h2-7,17H,1H3.
What are the key properties of 2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline?
2-chloro-6-fluoro-N-(2-fluoro-5-methylphenyl)aniline has a molecular weight of 253.68 g/mol, XLogP of 4.67, 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-(2-fluoro-5-methylphenyl)aniline is sourced from PubChem (CID 56608807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).