5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline

C9H9ClF3N — CID 28562881

IUPAC5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCc1ccc(Cl)cc1NCC(F)(F)F
InChIInChI=1S/C9H9ClF3N/c1-6-2-3-7(10)4-8(6)14-5-9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyGXWKGUDBLSUJBP-UHFFFAOYSA-N
MW223.62 g/mol
LogP3.62
Rot. Bonds2

About 5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline

5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 28562881) has the molecular formula C9H9ClF3N and a molecular weight of 223.62 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID28562881
Molecular FormulaC9H9ClF3N
Molecular Weight223.62 g/mol
Exact Mass223.04
IUPAC Name5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCc1ccc(Cl)cc1NCC(F)(F)F
InChIInChI=1S/C9H9ClF3N/c1-6-2-3-7(10)4-8(6)14-5-9(11,12)13/h2-4,14H,5H2,1H3
InChIKeyGXWKGUDBLSUJBP-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 28562881) is 5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline is Cc1ccc(Cl)cc1NCC(F)(F)F.
What is the InChIKey of 5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is GXWKGUDBLSUJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-6-2-3-7(10)4-8(6)14-5-9(11,12)13/h2-4,14H,5H2,1H3.
What are the key properties of 5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline?
5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 223.62 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 28562881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).