(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine

C14H9ClF5N — CID 107291671

IUPAC(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)c(F)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H9ClF5N/c15-9-2-1-3-10(16)12(9)13(21)7-4-5-8(11(17)6-7)14(18,19)20/h1-6,13H,21H2
InChIKeyQQIUMNQSWSKQMV-UHFFFAOYSA-N
MW321.68 g/mol
LogP4.69
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine

(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 107291671) has the molecular formula C14H9ClF5N and a molecular weight of 321.68 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
PubChem CID107291671
Molecular FormulaC14H9ClF5N
Molecular Weight321.68 g/mol
Exact Mass321.03
IUPAC Name(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)c(F)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H9ClF5N/c15-9-2-1-3-10(16)12(9)13(21)7-4-5-8(11(17)6-7)14(18,19)20/h1-6,13H,21H2
InChIKeyQQIUMNQSWSKQMV-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.68
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 114275177
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288878
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-iodophenyl)methanamine
CID 107291498
2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288838
(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289435
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
CID 107288996
[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
CID 138986692
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171209499

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine (CID 107291671) is (2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)c(F)c1)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is QQIUMNQSWSKQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF5N/c15-9-2-1-3-10(16)12(9)13(21)7-4-5-8(11(17)6-7)14(18,19)20/h1-6,13H,21H2.
What are the key properties of (2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 321.68 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107291671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).