2-chloro-5-[3-(trifluoromethyl)phenyl]aniline

C13H9ClF3N — CID 62909928

IUPAC2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C13H9ClF3N/c14-11-5-4-9(7-12(11)18)8-2-1-3-10(6-8)13(15,16)17/h1-7H,18H2
InChIKeyYSHHTIKZUGTOCY-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.61
Rot. Bonds1

About 2-chloro-5-[3-(trifluoromethyl)phenyl]aniline

2-chloro-5-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 62909928) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-chloro-5-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
PubChem CID62909928
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C13H9ClF3N/c14-11-5-4-9(7-12(11)18)8-2-1-3-10(6-8)13(15,16)17/h1-7H,18H2
InChIKeyYSHHTIKZUGTOCY-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 54.61
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

4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
CID 134626202
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
5-(3-bromophenyl)-2-chloroaniline
CID 115503808
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 173139448
2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
CID 23626608
4-[3-(trifluoromethyl)phenyl]furan-2-amine
CID 90487673
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-chloro-5-[3-(trifluoromethyl)phenyl]aniline (CID 62909928) is 2-chloro-5-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-chloro-5-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-chloro-5-[3-(trifluoromethyl)phenyl]aniline is Nc1cc(-c2cccc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is YSHHTIKZUGTOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-11-5-4-9(7-12(11)18)8-2-1-3-10(6-8)13(15,16)17/h1-7H,18H2.
What are the key properties of 2-chloro-5-[3-(trifluoromethyl)phenyl]aniline?
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 271.67 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 62909928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).