2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline

C9H9ClF3N — CID 146283830

IUPAC2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline
SMILESCc1cc(CC(F)(F)F)cc(Cl)c1N
InChIInChI=1S/C9H9ClF3N/c1-5-2-6(4-9(11,12)13)3-7(10)8(5)14/h2-3H,4,14H2,1H3
InChIKeyRBJAMXUEVHSEHA-UHFFFAOYSA-N
MW223.62 g/mol
LogP3.34
Rot. Bonds1

About 2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline

2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline (PubChem CID 146283830) has the molecular formula C9H9ClF3N and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline
PubChem CID146283830
Molecular FormulaC9H9ClF3N
Molecular Weight223.62 g/mol
Exact Mass223.04
IUPAC Name2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline
SMILESCc1cc(CC(F)(F)F)cc(Cl)c1N
InChIInChI=1S/C9H9ClF3N/c1-5-2-6(4-9(11,12)13)3-7(10)8(5)14/h2-3H,4,14H2,1H3
InChIKeyRBJAMXUEVHSEHA-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline (CID 146283830) is 2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline is Cc1cc(CC(F)(F)F)cc(Cl)c1N.
What is the InChIKey of 2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline?
The InChIKey is RBJAMXUEVHSEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-5-2-6(4-9(11,12)13)3-7(10)8(5)14/h2-3H,4,14H2,1H3.
What are the key properties of 2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline?
2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline has a molecular weight of 223.62 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 146283830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).