2-(3-chlorothiophen-2-yl)-2-fluoroethanamine

C6H7ClFNS — CID 107361336

IUPAC2-(3-chlorothiophen-2-yl)-2-fluoroethanamine
SMILESNCC(F)c1sccc1Cl
InChIInChI=1S/C6H7ClFNS/c7-4-1-2-10-6(4)5(8)3-9/h1-2,5H,3,9H2
InChIKeyULNGRMWAXVZLJA-UHFFFAOYSA-N
MW179.65 g/mol
LogP2.37
Rot. Bonds2

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

2-(3-chlorothiophen-2-yl)-2-fluoroethanamine (PubChem CID 107361336) has the molecular formula C6H7ClFNS and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-2-fluoroethanamine
PubChem CID107361336
Molecular FormulaC6H7ClFNS
Molecular Weight179.65 g/mol
Exact Mass179.00
IUPAC Name2-(3-chlorothiophen-2-yl)-2-fluoroethanamine
SMILESNCC(F)c1sccc1Cl
InChIInChI=1S/C6H7ClFNS/c7-4-1-2-10-6(4)5(8)3-9/h1-2,5H,3,9H2
InChIKeyULNGRMWAXVZLJA-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-2-fluoroethanamine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-2-fluoroethanamine (CID 107361336) is 2-(3-chlorothiophen-2-yl)-2-fluoroethanamine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-2-fluoroethanamine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-2-fluoroethanamine is NCC(F)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-2-fluoroethanamine?
The InChIKey is ULNGRMWAXVZLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFNS/c7-4-1-2-10-6(4)5(8)3-9/h1-2,5H,3,9H2.
What are the key properties of 2-(3-chlorothiophen-2-yl)-2-fluoroethanamine?
2-(3-chlorothiophen-2-yl)-2-fluoroethanamine has a molecular weight of 179.65 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-2-fluoroethanamine is sourced from PubChem (CID 107361336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).