(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine

C13H8BrClFNS2 — CID 102828053

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
SMILESNC(c1cc(Br)c(Cl)s1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H8BrClFNS2/c14-8-5-11(19-13(8)15)12(17)10-3-6-1-2-7(16)4-9(6)18-10/h1-5,12H,17H2
InChIKeyIONAULQPFQAJNK-UHFFFAOYSA-N
MW376.70 g/mol
LogP5.57
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine

(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine (PubChem CID 102828053) has the molecular formula C13H8BrClFNS2 and a molecular weight of 376.70 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
PubChem CID102828053
Molecular FormulaC13H8BrClFNS2
Molecular Weight376.70 g/mol
Exact Mass374.90
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
SMILESNC(c1cc(Br)c(Cl)s1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H8BrClFNS2/c14-8-5-11(19-13(8)15)12(17)10-3-6-1-2-7(16)4-9(6)18-10/h1-5,12H,17H2
InChIKeyIONAULQPFQAJNK-UHFFFAOYSA-N
XLogP5.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.70
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
(4-bromo-2,5-dimethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115671
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102828128
(2,3-difluoro-4-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 107515550
2-[bromo-(3-bromo-4-fluorophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81105092
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115142
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104395

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine (CID 102828053) is (4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine is NC(c1cc(Br)c(Cl)s1)c1cc2ccc(F)cc2s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine?
The InChIKey is IONAULQPFQAJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNS2/c14-8-5-11(19-13(8)15)12(17)10-3-6-1-2-7(16)4-9(6)18-10/h1-5,12H,17H2.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine?
(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine has a molecular weight of 376.70 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 102828053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).