2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline

C13H9Cl3FN — CID 6426245

IUPAC2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline
SMILESCNc1c(F)cc(-c2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C13H9Cl3FN/c1-18-13-10(16)5-7(6-11(13)17)12-8(14)3-2-4-9(12)15/h2-6,18H,1H3
InChIKeyWXHVGYTYEWEJEI-UHFFFAOYSA-N
MW304.58 g/mol
LogP5.49
Rot. Bonds2

About 2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline

2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline (PubChem CID 6426245) has the molecular formula C13H9Cl3FN and a molecular weight of 304.58 g/mol. Its IUPAC name is 2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline
PubChem CID6426245
Molecular FormulaC13H9Cl3FN
Molecular Weight304.58 g/mol
Exact Mass302.98
IUPAC Name2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline
SMILESCNc1c(F)cc(-c2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C13H9Cl3FN/c1-18-13-10(16)5-7(6-11(13)17)12-8(14)3-2-4-9(12)15/h2-6,18H,1H3
InChIKeyWXHVGYTYEWEJEI-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.58
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline?
The IUPAC name of 2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline (CID 6426245) is 2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline.
What is the SMILES notation for 2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline?
The canonical SMILES for 2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline is CNc1c(F)cc(-c2c(Cl)cccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline?
The InChIKey is WXHVGYTYEWEJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FN/c1-18-13-10(16)5-7(6-11(13)17)12-8(14)3-2-4-9(12)15/h2-6,18H,1H3.
What are the key properties of 2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline?
2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline has a molecular weight of 304.58 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,6-dichlorophenyl)-6-fluoro-N-methylaniline is sourced from PubChem (CID 6426245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).