N-(3-chlorophenyl)-3-(trifluoromethyl)aniline

C13H9ClF3N — CID 71402988

IUPACN-(3-chlorophenyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C13H9ClF3N/c14-10-4-2-6-12(8-10)18-11-5-1-3-9(7-11)13(15,16)17/h1-8,18H
InChIKeyOHVHTCIYZJYGAZ-UHFFFAOYSA-N
MW271.67 g/mol
LogP5.10
Rot. Bonds2

About N-(3-chlorophenyl)-3-(trifluoromethyl)aniline

N-(3-chlorophenyl)-3-(trifluoromethyl)aniline (PubChem CID 71402988) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(trifluoromethyl)aniline
PubChem CID71402988
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC NameN-(3-chlorophenyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C13H9ClF3N/c14-10-4-2-6-12(8-10)18-11-5-1-3-9(7-11)13(15,16)17/h1-8,18H
InChIKeyOHVHTCIYZJYGAZ-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(3-chlorophenyl)-3-(trifluoromethyl)aniline (CID 71402988) is N-(3-chlorophenyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(3-chlorophenyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(3-chlorophenyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(trifluoromethyl)aniline?
The InChIKey is OHVHTCIYZJYGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-10-4-2-6-12(8-10)18-11-5-1-3-9(7-11)13(15,16)17/h1-8,18H.
What are the key properties of N-(3-chlorophenyl)-3-(trifluoromethyl)aniline?
N-(3-chlorophenyl)-3-(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 N-(3-chlorophenyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 71402988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).