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

C14H9BrF5N — CID 107289435

IUPAC(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1c(F)cccc1Br
InChIInChI=1S/C14H9BrF5N/c15-9-2-1-3-11(17)12(9)13(21)7-4-5-10(16)8(6-7)14(18,19)20/h1-6,13H,21H2
InChIKeyVRRXLMHKGIXVIA-UHFFFAOYSA-N
MW366.13 g/mol
LogP4.79
Rot. Bonds2

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

(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 107289435) has the molecular formula C14H9BrF5N and a molecular weight of 366.13 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID107289435
Molecular FormulaC14H9BrF5N
Molecular Weight366.13 g/mol
Exact Mass364.98
IUPAC Name(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1c(F)cccc1Br
InChIInChI=1S/C14H9BrF5N/c15-9-2-1-3-11(17)12(9)13(21)7-4-5-10(16)8(6-7)14(18,19)20/h1-6,13H,21H2
InChIKeyVRRXLMHKGIXVIA-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

(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114886642
(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 114886872
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-iodophenyl)methanamine
CID 107291836
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064
(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289052
(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291801
(2-chloro-6-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107291671
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
1-(2-bromo-6-fluorophenyl)-2,2,2-trifluoroethanamine
CID 77127823

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 107289435) is (2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(F)c(C(F)(F)F)c1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VRRXLMHKGIXVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF5N/c15-9-2-1-3-11(17)12(9)13(21)7-4-5-10(16)8(6-7)14(18,19)20/h1-6,13H,21H2.
What are the key properties of (2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(2-bromo-6-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 (2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107289435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).