(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

C14H9BrF5N — CID 107289052

IUPAC(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cc(F)cc(Br)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF5N/c15-9-3-8(4-10(16)6-9)13(21)7-1-2-12(17)11(5-7)14(18,19)20/h1-6,13H,21H2
InChIKeyPQRTYNKCUXMVIF-UHFFFAOYSA-N
MW366.13 g/mol
LogP4.79
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 107289052) has the molecular formula C14H9BrF5N and a molecular weight of 366.13 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID107289052
Molecular FormulaC14H9BrF5N
Molecular Weight366.13 g/mol
Exact Mass364.98
IUPAC Name(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cc(F)cc(Br)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF5N/c15-9-3-8(4-10(16)6-9)13(21)7-1-2-12(17)11(5-7)14(18,19)20/h1-6,13H,21H2
InChIKeyPQRTYNKCUXMVIF-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291801
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289435
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
CID 107291836
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 66425066
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine
CID 43248327
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 80530745
(1R)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 131481827

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 107289052) is (3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is NC(c1cc(F)cc(Br)c1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PQRTYNKCUXMVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF5N/c15-9-3-8(4-10(16)6-9)13(21)7-1-2-12(17)11(5-7)14(18,19)20/h1-6,13H,21H2.
What are the key properties of (3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 366.13 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107289052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).