3-amino-3-(5-fluorothiophen-3-yl)propanenitrile

C7H7FN2S — CID 130000187

IUPAC3-amino-3-(5-fluorothiophen-3-yl)propanenitrile
SMILESN#CCC(N)c1csc(F)c1
InChIInChI=1S/C7H7FN2S/c8-7-3-5(4-11-7)6(10)1-2-9/h3-4,6H,1,10H2
InChIKeyRSYPEVGAJYHQAQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.80
Rot. Bonds2

About 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile

3-amino-3-(5-fluorothiophen-3-yl)propanenitrile (PubChem CID 130000187) has the molecular formula C7H7FN2S and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(5-fluorothiophen-3-yl)propanenitrile
PubChem CID130000187
Molecular FormulaC7H7FN2S
Molecular Weight170.21 g/mol
Exact Mass170.03
IUPAC Name3-amino-3-(5-fluorothiophen-3-yl)propanenitrile
SMILESN#CCC(N)c1csc(F)c1
InChIInChI=1S/C7H7FN2S/c8-7-3-5(4-11-7)6(10)1-2-9/h3-4,6H,1,10H2
InChIKeyRSYPEVGAJYHQAQ-UHFFFAOYSA-N
XLogP1.80
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile?
The IUPAC name of 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile (CID 130000187) is 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile.
What is the SMILES notation for 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile?
The canonical SMILES for 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile is N#CCC(N)c1csc(F)c1.
What is the InChIKey of 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile?
The InChIKey is RSYPEVGAJYHQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2S/c8-7-3-5(4-11-7)6(10)1-2-9/h3-4,6H,1,10H2.
What are the key properties of 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile?
3-amino-3-(5-fluorothiophen-3-yl)propanenitrile has a molecular weight of 170.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-fluorothiophen-3-yl)propanenitrile is sourced from PubChem (CID 130000187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).