(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine

C13H9BrF3N — CID 115851739

IUPAC(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1cccc(F)c1Br
InChIInChI=1S/C13H9BrF3N/c14-12-10(2-1-3-11(12)17)13(18)7-4-8(15)6-9(16)5-7/h1-6,13H,18H2
InChIKeyYFSVJJDQOMWQCJ-UHFFFAOYSA-N
MW316.12 g/mol
LogP3.91
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine

(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine (PubChem CID 115851739) has the molecular formula C13H9BrF3N and a molecular weight of 316.12 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
PubChem CID115851739
Molecular FormulaC13H9BrF3N
Molecular Weight316.12 g/mol
Exact Mass314.99
IUPAC Name(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1cccc(F)c1Br
InChIInChI=1S/C13H9BrF3N/c14-12-10(2-1-3-11(12)17)13(18)7-4-8(15)6-9(16)5-7/h1-6,13H,18H2
InChIKeyYFSVJJDQOMWQCJ-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 114886872
(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 115785913
(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
CID 114023013
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 105045054
(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247886
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655
(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853945
1-(2-bromo-3-fluorophenyl)-3-ethylpentan-1-amine
CID 105028423
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083
(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine (CID 115851739) is (2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine is NC(c1cc(F)cc(F)c1)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine?
The InChIKey is YFSVJJDQOMWQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N/c14-12-10(2-1-3-11(12)17)13(18)7-4-8(15)6-9(16)5-7/h1-6,13H,18H2.
What are the key properties of (2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine?
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine has a molecular weight of 316.12 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine is sourced from PubChem (CID 115851739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).