2-fluoro-N-(thiophen-3-ylmethyl)ethanamine

C7H10FNS — CID 80694373

IUPAC2-fluoro-N-(thiophen-3-ylmethyl)ethanamine
SMILESFCCNCc1ccsc1
InChIInChI=1S/C7H10FNS/c8-2-3-9-5-7-1-4-10-6-7/h1,4,6,9H,2-3,5H2
InChIKeyZCCXYTMEHCIWDI-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.81
Rot. Bonds4

About 2-fluoro-N-(thiophen-3-ylmethyl)ethanamine

2-fluoro-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 80694373) has the molecular formula C7H10FNS and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-fluoro-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID80694373
Molecular FormulaC7H10FNS
Molecular Weight159.23 g/mol
Exact Mass159.05
IUPAC Name2-fluoro-N-(thiophen-3-ylmethyl)ethanamine
SMILESFCCNCc1ccsc1
InChIInChI=1S/C7H10FNS/c8-2-3-9-5-7-1-4-10-6-7/h1,4,6,9H,2-3,5H2
InChIKeyZCCXYTMEHCIWDI-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.81
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-fluoro-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-fluoro-N-(thiophen-3-ylmethyl)ethanamine (CID 80694373) is 2-fluoro-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-fluoro-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-fluoro-N-(thiophen-3-ylmethyl)ethanamine is FCCNCc1ccsc1.
What is the InChIKey of 2-fluoro-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is ZCCXYTMEHCIWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNS/c8-2-3-9-5-7-1-4-10-6-7/h1,4,6,9H,2-3,5H2.
What are the key properties of 2-fluoro-N-(thiophen-3-ylmethyl)ethanamine?
2-fluoro-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 159.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 80694373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).