2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline

C8H6Cl2F3N — CID 11042959

IUPAC2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline
SMILESCNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6Cl2F3N/c1-14-7-5(9)2-4(3-6(7)10)8(11,12)13/h2-3,14H,1H3
InChIKeyFJNYTBZSUXBSFX-UHFFFAOYSA-N
MW244.04 g/mol
LogP4.05
Rot. Bonds1

About 2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline

2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline (PubChem CID 11042959) has the molecular formula C8H6Cl2F3N and a molecular weight of 244.04 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline
PubChem CID11042959
Molecular FormulaC8H6Cl2F3N
Molecular Weight244.04 g/mol
Exact Mass242.98
IUPAC Name2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline
SMILESCNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6Cl2F3N/c1-14-7-5(9)2-4(3-6(7)10)8(11,12)13/h2-3,14H,1H3
InChIKeyFJNYTBZSUXBSFX-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline (CID 11042959) is 2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline is CNc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline?
The InChIKey is FJNYTBZSUXBSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3N/c1-14-7-5(9)2-4(3-6(7)10)8(11,12)13/h2-3,14H,1H3.
What are the key properties of 2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline?
2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline has a molecular weight of 244.04 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 11042959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).