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

C12H7BrClF4NS — CID 102828128

IUPAC(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cc(Br)c(Cl)s1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H7BrClF4NS/c13-7-4-9(20-11(7)14)10(19)6-3-5(12(16,17)18)1-2-8(6)15/h1-4,10H,19H2
InChIKeyZVALTVQKZGNWHR-UHFFFAOYSA-N
MW388.61 g/mol
LogP5.37
Rot. Bonds2

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

(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 102828128) has the molecular formula C12H7BrClF4NS and a molecular weight of 388.61 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
PubChem CID102828128
Molecular FormulaC12H7BrClF4NS
Molecular Weight388.61 g/mol
Exact Mass386.91
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cc(Br)c(Cl)s1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H7BrClF4NS/c13-7-4-9(20-11(7)14)10(19)6-3-5(12(16,17)18)1-2-8(6)15/h1-4,10H,19H2
InChIKeyZVALTVQKZGNWHR-UHFFFAOYSA-N
XLogP5.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.61
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102827186
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
(4-bromo-5-chlorothiophen-2-yl)-[4-bromo-3-(trifluoromethyl)phenyl]methanamine
CID 102828030
(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 102828053
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242848
1-(5-chloro-4-methylthiophen-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763742
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171249579
1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 102828109
3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
CID 102836767

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine (CID 102828128) is (4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine is NC(c1cc(Br)c(Cl)s1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZVALTVQKZGNWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF4NS/c13-7-4-9(20-11(7)14)10(19)6-3-5(12(16,17)18)1-2-8(6)15/h1-4,10H,19H2.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 388.61 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102828128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).