(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine

C14H11ClF3N — CID 43185145

IUPAC(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3N/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8,13H,19H2
InChIKeyUZRCQRBBNQCEJB-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.41
Rot. Bonds2

About (4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine

(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 43185145) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID43185145
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11ClF3N/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8,13H,19H2
InChIKeyUZRCQRBBNQCEJB-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine (CID 43185145) is (4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UZRCQRBBNQCEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8,13H,19H2.
What are the key properties of (4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 285.70 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43185145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).