(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine

C14H10ClF4N — CID 107288719

IUPAC(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H10ClF4N/c15-10-4-1-8(2-5-10)13(20)9-3-6-11(12(16)7-9)14(17,18)19/h1-7,13H,20H2
InChIKeyXQIDZKQILJXOPE-UHFFFAOYSA-N
MW303.69 g/mol
LogP4.55
Rot. Bonds2

About (4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine

(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 107288719) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
PubChem CID107288719
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H10ClF4N/c15-10-4-1-8(2-5-10)13(20)9-3-6-11(12(16)7-9)14(17,18)19/h1-7,13H,20H2
InChIKeyXQIDZKQILJXOPE-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-iodophenyl)methanamine
CID 107291498
(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine
CID 138040700
(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107291671
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288878
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
CID 107288996
[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
CID 138986692
2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288838
(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107289316
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine (CID 107288719) is (4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XQIDZKQILJXOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-10-4-1-8(2-5-10)13(20)9-3-6-11(12(16)7-9)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.69 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107288719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).