3-chloro-N-methyl-4-(trifluoromethyl)aniline

C8H7ClF3N — CID 130197032

IUPAC3-chloro-N-methyl-4-(trifluoromethyl)aniline
SMILESCNc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H7ClF3N/c1-13-5-2-3-6(7(9)4-5)8(10,11)12/h2-4,13H,1H3
InChIKeyHQBGPMWFDFLWLA-UHFFFAOYSA-N
MW209.60 g/mol
LogP3.40
Rot. Bonds1

About 3-chloro-N-methyl-4-(trifluoromethyl)aniline

3-chloro-N-methyl-4-(trifluoromethyl)aniline (PubChem CID 130197032) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 3-chloro-N-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-methyl-4-(trifluoromethyl)aniline
PubChem CID130197032
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name3-chloro-N-methyl-4-(trifluoromethyl)aniline
SMILESCNc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H7ClF3N/c1-13-5-2-3-6(7(9)4-5)8(10,11)12/h2-4,13H,1H3
InChIKeyHQBGPMWFDFLWLA-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-methyl-4-(trifluoromethyl)aniline (CID 130197032) is 3-chloro-N-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-methyl-4-(trifluoromethyl)aniline is CNc1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-4-(trifluoromethyl)aniline?
The InChIKey is HQBGPMWFDFLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c1-13-5-2-3-6(7(9)4-5)8(10,11)12/h2-4,13H,1H3.
What are the key properties of 3-chloro-N-methyl-4-(trifluoromethyl)aniline?
3-chloro-N-methyl-4-(trifluoromethyl)aniline has a molecular weight of 209.60 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 130197032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).