N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline

C14H8ClF6N — CID 71445965

IUPACN-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Nc2ccc(Cl)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF6N/c15-10-1-3-11(4-2-10)22-12-6-8(13(16,17)18)5-9(7-12)14(19,20)21/h1-7,22H
InChIKeyXPEKCBNPDXHYDQ-UHFFFAOYSA-N
MW339.67 g/mol
LogP6.12
Rot. Bonds2

About N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline

N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline (PubChem CID 71445965) has the molecular formula C14H8ClF6N and a molecular weight of 339.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline
PubChem CID71445965
Molecular FormulaC14H8ClF6N
Molecular Weight339.67 g/mol
Exact Mass339.02
IUPAC NameN-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Nc2ccc(Cl)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H8ClF6N/c15-10-1-3-11(4-2-10)22-12-6-8(13(16,17)18)5-9(7-12)14(19,20)21/h1-7,22H
InChIKeyXPEKCBNPDXHYDQ-UHFFFAOYSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.67
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline (CID 71445965) is N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline is FC(F)(F)c1cc(Nc2ccc(Cl)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline?
The InChIKey is XPEKCBNPDXHYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6N/c15-10-1-3-11(4-2-10)22-12-6-8(13(16,17)18)5-9(7-12)14(19,20)21/h1-7,22H.
What are the key properties of N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline?
N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline has a molecular weight of 339.67 g/mol, XLogP of 6.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 71445965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).