3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine

C13H14FNS — CID 20642694

IUPAC3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine
SMILESNCCC(c1ccsc1)c1cccc(F)c1
InChIInChI=1S/C13H14FNS/c14-12-3-1-2-10(8-12)13(4-6-15)11-5-7-16-9-11/h1-3,5,7-9,13H,4,6,15H2
InChIKeyZBPGIJDGEPYGTE-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.37
Rot. Bonds4

About 3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine

3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 20642694) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine
PubChem CID20642694
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine
SMILESNCCC(c1ccsc1)c1cccc(F)c1
InChIInChI=1S/C13H14FNS/c14-12-3-1-2-10(8-12)13(4-6-15)11-5-7-16-9-11/h1-3,5,7-9,13H,4,6,15H2
InChIKeyZBPGIJDGEPYGTE-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine (CID 20642694) is 3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine is NCCC(c1ccsc1)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is ZBPGIJDGEPYGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c14-12-3-1-2-10(8-12)13(4-6-15)11-5-7-16-9-11/h1-3,5,7-9,13H,4,6,15H2.
What are the key properties of 3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine?
3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 20642694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).