(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine

C13H10BrF4NS — CID 102827186

IUPAC(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1sc(C(N)c2cc(C(F)(F)F)ccc2F)cc1Br
InChIInChI=1S/C13H10BrF4NS/c1-6-9(14)5-11(20-6)12(19)8-4-7(13(16,17)18)2-3-10(8)15/h2-5,12H,19H2,1H3
InChIKeyYJJRULZGHKKTPS-UHFFFAOYSA-N
MW368.19 g/mol
LogP5.03
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine

(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 102827186) has the molecular formula C13H10BrF4NS and a molecular weight of 368.19 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
PubChem CID102827186
Molecular FormulaC13H10BrF4NS
Molecular Weight368.19 g/mol
Exact Mass366.97
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
SMILESCc1sc(C(N)c2cc(C(F)(F)F)ccc2F)cc1Br
InChIInChI=1S/C13H10BrF4NS/c1-6-9(14)5-11(20-6)12(19)8-4-7(13(16,17)18)2-3-10(8)15/h2-5,12H,19H2,1H3
InChIKeyYJJRULZGHKKTPS-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.19
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102828128
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
(4-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 102827122
(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 102827103
(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105011918
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827023
(3-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827156
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102829532
3-bromo-5-[chloro-[3-(trifluoromethyl)phenyl]methyl]-2-methylthiophene
CID 102835623

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine (CID 102827186) is (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine is Cc1sc(C(N)c2cc(C(F)(F)F)ccc2F)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is YJJRULZGHKKTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF4NS/c1-6-9(14)5-11(20-6)12(19)8-4-7(13(16,17)18)2-3-10(8)15/h2-5,12H,19H2,1H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 368.19 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102827186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).