(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine

C11H6BrClF3NS — CID 102828028

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc(Br)c(Cl)s1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H6BrClF3NS/c12-5-3-7(18-11(5)13)10(17)4-1-2-6(14)9(16)8(4)15/h1-3,10H,17H2
InChIKeyIBYJRJBARQAKSM-UHFFFAOYSA-N
MW356.59 g/mol
LogP4.63
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine

(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 102828028) has the molecular formula C11H6BrClF3NS and a molecular weight of 356.59 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID102828028
Molecular FormulaC11H6BrClF3NS
Molecular Weight356.59 g/mol
Exact Mass354.90
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1cc(Br)c(Cl)s1)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H6BrClF3NS/c12-5-3-7(18-11(5)13)10(17)4-1-2-6(14)9(16)8(4)15/h1-3,10H,17H2
InChIKeyIBYJRJBARQAKSM-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
CID 102836767
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
(4-bromo-5-chlorothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102828128
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855292
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
(2,5-dibromophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 79750062
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
(4-bromo-5-chlorothiophen-2-yl)-(2-ethylphenyl)methanamine
CID 102828065
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 102828053
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine (CID 102828028) is (4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine is NC(c1cc(Br)c(Cl)s1)c1ccc(F)c(F)c1F.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is IBYJRJBARQAKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3NS/c12-5-3-7(18-11(5)13)10(17)4-1-2-6(14)9(16)8(4)15/h1-3,10H,17H2.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine?
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 356.59 g/mol, XLogP of 4.63, 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)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 102828028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).