2-chloro-N-phenyl-5-(trifluoromethyl)aniline

C13H9ClF3N — CID 102396818

IUPAC2-chloro-N-phenyl-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(Nc2ccccc2)c1
InChIInChI=1S/C13H9ClF3N/c14-11-7-6-9(13(15,16)17)8-12(11)18-10-4-2-1-3-5-10/h1-8,18H
InChIKeyYYBJHJZHLZYYSD-UHFFFAOYSA-N
MW271.67 g/mol
LogP5.10
Rot. Bonds2

About 2-chloro-N-phenyl-5-(trifluoromethyl)aniline

2-chloro-N-phenyl-5-(trifluoromethyl)aniline (PubChem CID 102396818) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-chloro-N-phenyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-phenyl-5-(trifluoromethyl)aniline
PubChem CID102396818
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name2-chloro-N-phenyl-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(Nc2ccccc2)c1
InChIInChI=1S/C13H9ClF3N/c14-11-7-6-9(13(15,16)17)8-12(11)18-10-4-2-1-3-5-10/h1-8,18H
InChIKeyYYBJHJZHLZYYSD-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.67
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenamine, 2-chloro-5-(trifluoromethyl)-
CID 8475
3-(Trifluoromethyl)-N-phenylaniline
CID 7548
N-(2-Chloro-5-methylphenyl)acetamide
CID 364844
2-Chloro-5-(trifluoromethyl)aniline hydrochloride
CID 44521991
1-(2-Chlorophenyl)-3-(alpha,alpha,alpha-trifluoro-M-tolyl)urea
CID 4165705
N-Phenyl-2-chloroaniline
CID 6425221
N-[(4-chlorophenyl)methyl]aniline
CID 10632581
N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 243582
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 295967
(3-Chloro-4-fluoro-phenyl)-(2-fluoro-benzyl)-amine
CID 834562
1-(2-Chloro-4,5-difluorophenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 596073
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 756374

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-phenyl-5-(trifluoromethyl)aniline (CID 102396818) is 2-chloro-N-phenyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-phenyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-phenyl-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Cl)c(Nc2ccccc2)c1.
What is the InChIKey of 2-chloro-N-phenyl-5-(trifluoromethyl)aniline?
The InChIKey is YYBJHJZHLZYYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-11-7-6-9(13(15,16)17)8-12(11)18-10-4-2-1-3-5-10/h1-8,18H.
What are the key properties of 2-chloro-N-phenyl-5-(trifluoromethyl)aniline?
2-chloro-N-phenyl-5-(trifluoromethyl)aniline has a molecular weight of 271.67 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 102396818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).