(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine

C13H9BrF3N — CID 114886872

IUPAC(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1c(F)cccc1Br
InChIInChI=1S/C13H9BrF3N/c14-10-2-1-3-11(17)12(10)13(18)7-4-8(15)6-9(16)5-7/h1-6,13H,18H2
InChIKeyKUUMKUJXUMSOJQ-UHFFFAOYSA-N
MW316.12 g/mol
LogP3.91
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine

(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine (PubChem CID 114886872) has the molecular formula C13H9BrF3N and a molecular weight of 316.12 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
PubChem CID114886872
Molecular FormulaC13H9BrF3N
Molecular Weight316.12 g/mol
Exact Mass314.99
IUPAC Name(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1c(F)cccc1Br
InChIInChI=1S/C13H9BrF3N/c14-10-2-1-3-11(17)12(10)13(18)7-4-8(15)6-9(16)5-7/h1-6,13H,18H2
InChIKeyKUUMKUJXUMSOJQ-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

(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114886642
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 115851739
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289435
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
[(2-bromo-6-fluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105280555
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227
(2,6-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 79522334

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine?
The IUPAC name of (2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine (CID 114886872) is (2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine is NC(c1cc(F)cc(F)c1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine?
The InChIKey is KUUMKUJXUMSOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N/c14-10-2-1-3-11(17)12(10)13(18)7-4-8(15)6-9(16)5-7/h1-6,13H,18H2.
What are the key properties of (2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine?
(2-bromo-6-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-6-fluorophenyl)-(3,5-difluorophenyl)methanamine is sourced from PubChem (CID 114886872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).