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

C14H10ClF4N — CID 115801247

IUPAC(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C14H10ClF4N/c15-11-4-2-1-3-9(11)13(20)8-5-6-12(16)10(7-8)14(17,18)19/h1-7,13H,20H2
InChIKeyQNJJZWJFZJIODA-UHFFFAOYSA-N
MW303.69 g/mol
LogP4.55
Rot. Bonds2

About (2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 115801247) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID115801247
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C14H10ClF4N/c15-11-4-2-1-3-9(11)13(20)8-5-6-12(16)10(7-8)14(17,18)19/h1-7,13H,20H2
InChIKeyQNJJZWJFZJIODA-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

(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine
CID 138040700
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
CID 107291836
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064
(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289145
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
CID 107289329
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288878
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 80530745
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine
CID 107291766
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 115801247) is (2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is QNJJZWJFZJIODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-11-4-2-1-3-9(11)13(20)8-5-6-12(16)10(7-8)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(2-chlorophenyl)-[4-fluoro-3-(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 (2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115801247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).