(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine

C13H8BrF4N — CID 114558834

IUPAC(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1c(F)cc(F)cc1F)c1c(F)cccc1Br
InChIInChI=1S/C13H8BrF4N/c14-7-2-1-3-8(16)11(7)13(19)12-9(17)4-6(15)5-10(12)18/h1-5,13H,19H2
InChIKeyVCMKZEPMESBLPA-UHFFFAOYSA-N
MW334.11 g/mol
LogP4.05
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine

(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 114558834) has the molecular formula C13H8BrF4N and a molecular weight of 334.11 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID114558834
Molecular FormulaC13H8BrF4N
Molecular Weight334.11 g/mol
Exact Mass332.98
IUPAC Name(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1c(F)cc(F)cc1F)c1c(F)cccc1Br
InChIInChI=1S/C13H8BrF4N/c14-7-2-1-3-8(16)11(7)13(19)12-9(17)4-6(15)5-10(12)18/h1-5,13H,19H2
InChIKeyVCMKZEPMESBLPA-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 114886872
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 114558836
(2-bromo-6-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114886642
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227
1-(2-bromo-6-fluorophenyl)-2,2,2-trifluoroethanamine
CID 77127823
(2-bromo-6-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289435
(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
CID 171223208
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
phenyl-(2,4,6-trifluorophenyl)methanamine
CID 43198681

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine (CID 114558834) is (2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine is NC(c1c(F)cc(F)cc1F)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is VCMKZEPMESBLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4N/c14-7-2-1-3-8(16)11(7)13(19)12-9(17)4-6(15)5-10(12)18/h1-5,13H,19H2.
What are the key properties of (2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine?
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 334.11 g/mol, XLogP of 4.05, 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)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 114558834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).