2-(3-bromothiophen-2-yl)-2-fluoroethanamine

C6H7BrFNS — CID 112562654

IUPAC2-(3-bromothiophen-2-yl)-2-fluoroethanamine
SMILESNCC(F)c1sccc1Br
InChIInChI=1S/C6H7BrFNS/c7-4-1-2-10-6(4)5(8)3-9/h1-2,5H,3,9H2
InChIKeyWBOZZUXCLNVNOD-UHFFFAOYSA-N
MW224.10 g/mol
LogP2.48
Rot. Bonds2

About 2-(3-bromothiophen-2-yl)-2-fluoroethanamine

2-(3-bromothiophen-2-yl)-2-fluoroethanamine (PubChem CID 112562654) has the molecular formula C6H7BrFNS and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-fluoroethanamine
PubChem CID112562654
Molecular FormulaC6H7BrFNS
Molecular Weight224.10 g/mol
Exact Mass222.95
IUPAC Name2-(3-bromothiophen-2-yl)-2-fluoroethanamine
SMILESNCC(F)c1sccc1Br
InChIInChI=1S/C6H7BrFNS/c7-4-1-2-10-6(4)5(8)3-9/h1-2,5H,3,9H2
InChIKeyWBOZZUXCLNVNOD-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-fluoroethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-fluoroethanamine (CID 112562654) is 2-(3-bromothiophen-2-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-fluoroethanamine is NCC(F)c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-fluoroethanamine?
The InChIKey is WBOZZUXCLNVNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFNS/c7-4-1-2-10-6(4)5(8)3-9/h1-2,5H,3,9H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-2-fluoroethanamine?
2-(3-bromothiophen-2-yl)-2-fluoroethanamine has a molecular weight of 224.10 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-fluoroethanamine is sourced from PubChem (CID 112562654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).