2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine

C8H11ClFNS — CID 106046022

IUPAC2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
SMILESFCCNCCc1ccc(Cl)s1
InChIInChI=1S/C8H11ClFNS/c9-8-2-1-7(12-8)3-5-11-6-4-10/h1-2,11H,3-6H2
InChIKeyRCWDLCWVPXQFDU-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.50
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine

2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine (PubChem CID 106046022) has the molecular formula C8H11ClFNS and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
PubChem CID106046022
Molecular FormulaC8H11ClFNS
Molecular Weight207.70 g/mol
Exact Mass207.03
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
SMILESFCCNCCc1ccc(Cl)s1
InChIInChI=1S/C8H11ClFNS/c9-8-2-1-7(12-8)3-5-11-6-4-10/h1-2,11H,3-6H2
InChIKeyRCWDLCWVPXQFDU-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine (CID 106046022) is 2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine is FCCNCCc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine?
The InChIKey is RCWDLCWVPXQFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFNS/c9-8-2-1-7(12-8)3-5-11-6-4-10/h1-2,11H,3-6H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine has a molecular weight of 207.70 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine is sourced from PubChem (CID 106046022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).