(4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride

C14H11Cl2F4N — CID 138008025

IUPAC(4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NC(c1ccc(Cl)cc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF4N.ClH/c15-11-3-1-8(2-4-11)13(20)9-5-10(14(17,18)19)7-12(16)6-9;/h1-7,13H,20H2;1H
InChIKeyXEQOMKRAVFWBHE-UHFFFAOYSA-N
MW340.15 g/mol
LogP4.97
Rot. Bonds2

About (4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride

(4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 138008025) has the molecular formula C14H11Cl2F4N and a molecular weight of 340.15 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID138008025
Molecular FormulaC14H11Cl2F4N
Molecular Weight340.15 g/mol
Exact Mass339.02
IUPAC Name(4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NC(c1ccc(Cl)cc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10ClF4N.ClH/c15-11-3-1-8(2-4-11)13(20)9-5-10(14(17,18)19)7-12(16)6-9;/h1-7,13H,20H2;1H
InChIKeyXEQOMKRAVFWBHE-UHFFFAOYSA-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

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Related Compounds

Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-
CID 485440
(4-Chlorophenyl)(phenyl)methanamine
CID 409810
2-(4-Chlorophenyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
CID 3052629
4-Chlorobenzhydrylamine hydrochloride
CID 16219096
1,3-Bis(4-chlorophenyl)propan-2-amine
CID 24257988
[4-[2-Chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 82039681
1,2-Bis(4-chlorophenyl)ethan-1-amine hydrochloride
CID 3052528
1,2-Bis(4-chlorophenyl)-1,2-ethanediamine
CID 432152
(Bis(4-chlorophenyl)methyl)(methyl)amine
CID 22660951
(4-Chloro-2-fluorophenyl)methanamine hydrochloride
CID 2724909
2-Chloro-5-(trifluoromethyl)benzylamine
CID 2736682
[3-[2-Chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 82039680

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 138008025) is (4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.NC(c1ccc(Cl)cc1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is XEQOMKRAVFWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N.ClH/c15-11-3-1-8(2-4-11)13(20)9-5-10(14(17,18)19)7-12(16)6-9;/h1-7,13H,20H2;1H.
What are the key properties of (4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(4-chlorophenyl)-[3-fluoro-5-(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 (4-chlorophenyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 138008025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).