2-chloro-4-[4-(trifluoromethyl)phenyl]aniline

C13H9ClF3N — CID 23626608

IUPAC2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C13H9ClF3N/c14-11-7-9(3-6-12(11)18)8-1-4-10(5-2-8)13(15,16)17/h1-7H,18H2
InChIKeyCMNAMMIJDGEAMY-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.61
Rot. Bonds1

About 2-chloro-4-[4-(trifluoromethyl)phenyl]aniline

2-chloro-4-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 23626608) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-chloro-4-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
PubChem CID23626608
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C13H9ClF3N/c14-11-7-9(3-6-12(11)18)8-1-4-10(5-2-8)13(15,16)17/h1-7H,18H2
InChIKeyCMNAMMIJDGEAMY-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-chloro-4-[4-(trifluoromethyl)phenyl]aniline (CID 23626608) is 2-chloro-4-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-chloro-4-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-chloro-4-[4-(trifluoromethyl)phenyl]aniline is Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is CMNAMMIJDGEAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-11-7-9(3-6-12(11)18)8-1-4-10(5-2-8)13(15,16)17/h1-7H,18H2.
What are the key properties of 2-chloro-4-[4-(trifluoromethyl)phenyl]aniline?
2-chloro-4-[4-(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-4-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 23626608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).