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

C14H11Cl2F4N — CID 170898786

IUPAC(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H10ClF4N.ClH/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;1H/t13-;/m0./s1
InChIKeyBAADQVNXYGTALD-ZOWNYOTGSA-N
MW340.15 g/mol
LogP4.97
Rot. Bonds2

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

(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 170898786) has the molecular formula C14H11Cl2F4N and a molecular weight of 340.15 g/mol. Its IUPAC name is (S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID170898786
Molecular FormulaC14H11Cl2F4N
Molecular Weight340.15 g/mol
Exact Mass339.02
IUPAC Name(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H10ClF4N.ClH/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;1H/t13-;/m0./s1
InChIKeyBAADQVNXYGTALD-ZOWNYOTGSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
[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
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288878
[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
CID 138986692
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
CID 107288996
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 (S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 170898786) is (S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.N[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is BAADQVNXYGTALD-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H10ClF4N.ClH/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;1H/t13-;/m0./s1.
What are the key properties of (S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 340.15 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 170898786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).