(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine

C11H7BrCl2FNS — CID 43344859

IUPAC(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1ccc(Br)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7BrCl2FNS/c12-5-1-2-6(8(15)3-5)10(16)7-4-9(13)17-11(7)14/h1-4,10H,16H2
InChIKeySKEJSIGDBHRJEM-UHFFFAOYSA-N
MW355.06 g/mol
LogP5.00
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine

(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine (PubChem CID 43344859) has the molecular formula C11H7BrCl2FNS and a molecular weight of 355.06 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
PubChem CID43344859
Molecular FormulaC11H7BrCl2FNS
Molecular Weight355.06 g/mol
Exact Mass352.88
IUPAC Name(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1ccc(Br)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7BrCl2FNS/c12-5-1-2-6(8(15)3-5)10(16)7-4-9(13)17-11(7)14/h1-4,10H,16H2
InChIKeySKEJSIGDBHRJEM-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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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine (CID 43344859) is (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine is NC(c1ccc(Br)cc1F)c1cc(Cl)sc1Cl.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is SKEJSIGDBHRJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2FNS/c12-5-1-2-6(8(15)3-5)10(16)7-4-9(13)17-11(7)14/h1-4,10H,16H2.
What are the key properties of (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine?
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)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 (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 43344859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).