2-chloro-3-(2,2,2-trifluoroethyl)aniline

C8H7ClF3N — CID 175132449

IUPAC2-chloro-3-(2,2,2-trifluoroethyl)aniline
SMILESNc1cccc(CC(F)(F)F)c1Cl
InChIInChI=1S/C8H7ClF3N/c9-7-5(4-8(10,11)12)2-1-3-6(7)13/h1-3H,4,13H2
InChIKeyUVACEQIJXUPIQS-UHFFFAOYSA-N
MW209.60 g/mol
LogP3.03
Rot. Bonds1

About 2-chloro-3-(2,2,2-trifluoroethyl)aniline

2-chloro-3-(2,2,2-trifluoroethyl)aniline (PubChem CID 175132449) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 2-chloro-3-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2-chloro-3-(2,2,2-trifluoroethyl)aniline
PubChem CID175132449
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name2-chloro-3-(2,2,2-trifluoroethyl)aniline
SMILESNc1cccc(CC(F)(F)F)c1Cl
InChIInChI=1S/C8H7ClF3N/c9-7-5(4-8(10,11)12)2-1-3-6(7)13/h1-3H,4,13H2
InChIKeyUVACEQIJXUPIQS-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-2-chloroaniline
CID 69499181
2-chlorobenzene-1,3-diamine;dihydrochloride
CID 141430940
1-(3-amino-2-chlorophenyl)-3-bromopropan-2-one
CID 118854801
2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 172552203
2-(3-amino-2-chlorophenyl)ethyl carbamate
CID 142788747
2-nitro-6-(2,2,2-trifluoroethyl)aniline
CID 121415761
2-chloro-3-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,3-diamine
CID 114270033
3-(2,2,2-trifluoroethyl)aniline
CID 54595012
[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 19065069
1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84724008
3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid
CID 162738183
3-chloro-2-(2,2,2-trifluoroethylsulfonyl)aniline
CID 81182114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2-chloro-3-(2,2,2-trifluoroethyl)aniline (CID 175132449) is 2-chloro-3-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2-chloro-3-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2-chloro-3-(2,2,2-trifluoroethyl)aniline is Nc1cccc(CC(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-3-(2,2,2-trifluoroethyl)aniline?
The InChIKey is UVACEQIJXUPIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c9-7-5(4-8(10,11)12)2-1-3-6(7)13/h1-3H,4,13H2.
What are the key properties of 2-chloro-3-(2,2,2-trifluoroethyl)aniline?
2-chloro-3-(2,2,2-trifluoroethyl)aniline has a molecular weight of 209.60 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 175132449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).