4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine

C11H8BrClFNS — CID 177164993

IUPAC4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine
SMILESNc1c(Br)csc1Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H8BrClFNS/c12-8-5-16-10(11(8)15)4-6-3-7(14)1-2-9(6)13/h1-3,5H,4,15H2
InChIKeyJJIWAEBGCAVDMS-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.48
Rot. Bonds2

About 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine

4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine (PubChem CID 177164993) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound Name4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine
PubChem CID177164993
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC Name4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine
SMILESNc1c(Br)csc1Cc1cc(F)ccc1Cl
InChIInChI=1S/C11H8BrClFNS/c12-8-5-16-10(11(8)15)4-6-3-7(14)1-2-9(6)13/h1-3,5H,4,15H2
InChIKeyJJIWAEBGCAVDMS-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine?
The IUPAC name of 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine (CID 177164993) is 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine.
What is the SMILES notation for 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine?
The canonical SMILES for 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine is Nc1c(Br)csc1Cc1cc(F)ccc1Cl.
What is the InChIKey of 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine?
The InChIKey is JJIWAEBGCAVDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-8-5-16-10(11(8)15)4-6-3-7(14)1-2-9(6)13/h1-3,5H,4,15H2.
What are the key properties of 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine?
4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine has a molecular weight of 320.61 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-chloro-5-fluorophenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 177164993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).