3-(5-fluorothiophen-2-yl)propanenitrile

C7H6FNS — CID 67438667

IUPAC3-(5-fluorothiophen-2-yl)propanenitrile
SMILESN#CCCc1ccc(F)s1
InChIInChI=1S/C7H6FNS/c8-7-4-3-6(10-7)2-1-5-9/h3-4H,1-2H2
InChIKeyQJPZOCFQPFIJCU-UHFFFAOYSA-N
MW155.20 g/mol
LogP2.34
Rot. Bonds2

About 3-(5-fluorothiophen-2-yl)propanenitrile

3-(5-fluorothiophen-2-yl)propanenitrile (PubChem CID 67438667) has the molecular formula C7H6FNS and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(5-fluorothiophen-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-fluorothiophen-2-yl)propanenitrile
PubChem CID67438667
Molecular FormulaC7H6FNS
Molecular Weight155.20 g/mol
Exact Mass155.02
IUPAC Name3-(5-fluorothiophen-2-yl)propanenitrile
SMILESN#CCCc1ccc(F)s1
InChIInChI=1S/C7H6FNS/c8-7-4-3-6(10-7)2-1-5-9/h3-4H,1-2H2
InChIKeyQJPZOCFQPFIJCU-UHFFFAOYSA-N
XLogP2.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluorothiophen-2-yl)propanenitrile?
The IUPAC name of 3-(5-fluorothiophen-2-yl)propanenitrile (CID 67438667) is 3-(5-fluorothiophen-2-yl)propanenitrile.
What is the SMILES notation for 3-(5-fluorothiophen-2-yl)propanenitrile?
The canonical SMILES for 3-(5-fluorothiophen-2-yl)propanenitrile is N#CCCc1ccc(F)s1.
What is the InChIKey of 3-(5-fluorothiophen-2-yl)propanenitrile?
The InChIKey is QJPZOCFQPFIJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNS/c8-7-4-3-6(10-7)2-1-5-9/h3-4H,1-2H2.
What are the key properties of 3-(5-fluorothiophen-2-yl)propanenitrile?
3-(5-fluorothiophen-2-yl)propanenitrile has a molecular weight of 155.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluorothiophen-2-yl)propanenitrile is sourced from PubChem (CID 67438667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).