2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline

C13H9Cl2F2N — CID 6426146

IUPAC2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline
SMILESCNc1c(Cl)cc(-c2c(F)cccc2F)cc1Cl
InChIInChI=1S/C13H9Cl2F2N/c1-18-13-8(14)5-7(6-9(13)15)12-10(16)3-2-4-11(12)17/h2-6,18H,1H3
InChIKeyCRHYGEAIJJLQNY-UHFFFAOYSA-N
MW288.12 g/mol
LogP4.98
Rot. Bonds2

About 2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline

2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline (PubChem CID 6426146) has the molecular formula C13H9Cl2F2N and a molecular weight of 288.12 g/mol. Its IUPAC name is 2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline
PubChem CID6426146
Molecular FormulaC13H9Cl2F2N
Molecular Weight288.12 g/mol
Exact Mass287.01
IUPAC Name2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline
SMILESCNc1c(Cl)cc(-c2c(F)cccc2F)cc1Cl
InChIInChI=1S/C13H9Cl2F2N/c1-18-13-8(14)5-7(6-9(13)15)12-10(16)3-2-4-11(12)17/h2-6,18H,1H3
InChIKeyCRHYGEAIJJLQNY-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline?
The IUPAC name of 2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline (CID 6426146) is 2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline.
What is the SMILES notation for 2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline?
The canonical SMILES for 2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline is CNc1c(Cl)cc(-c2c(F)cccc2F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline?
The InChIKey is CRHYGEAIJJLQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F2N/c1-18-13-8(14)5-7(6-9(13)15)12-10(16)3-2-4-11(12)17/h2-6,18H,1H3.
What are the key properties of 2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline?
2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline has a molecular weight of 288.12 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2,6-difluorophenyl)-N-methylaniline is sourced from PubChem (CID 6426146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).