(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine

C11H7BrCl2FNS — CID 80530924

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
SMILESNC(c1cc(Cl)c(Br)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H7BrCl2FNS/c12-11-8(14)4-9(17-11)10(16)6-2-1-5(15)3-7(6)13/h1-4,10H,16H2
InChIKeyWRDDUHRTJJYHNJ-UHFFFAOYSA-N
MW355.06 g/mol
LogP5.00
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine (PubChem CID 80530924) has the molecular formula C11H7BrCl2FNS and a molecular weight of 355.06 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
PubChem CID80530924
Molecular FormulaC11H7BrCl2FNS
Molecular Weight355.06 g/mol
Exact Mass352.88
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
SMILESNC(c1cc(Cl)c(Br)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H7BrCl2FNS/c12-11-8(14)4-9(17-11)10(16)6-2-1-5(15)3-7(6)13/h1-4,10H,16H2
InChIKeyWRDDUHRTJJYHNJ-UHFFFAOYSA-N
XLogP5.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.06
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
CID 80530680
2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
CID 80533517
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198689
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
CID 80530831
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
CID 80530952
(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(5-bromo-4-chlorothiophen-2-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684530

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine (CID 80530924) is (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine is NC(c1cc(Cl)c(Br)s1)c1ccc(F)cc1Cl.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine?
The InChIKey is WRDDUHRTJJYHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2FNS/c12-11-8(14)4-9(17-11)10(16)6-2-1-5(15)3-7(6)13/h1-4,10H,16H2.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine has a molecular weight of 355.06 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine is sourced from PubChem (CID 80530924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).