4-fluoropentanenitrile

C5H8FN — CID 84762016

IUPAC4-fluoropentanenitrile
SMILESCC(F)CCC#N
InChIInChI=1S/C5H8FN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3
InChIKeyYVGJTRWUOAJUMN-UHFFFAOYSA-N
MW101.12 g/mol
LogP1.65
Rot. Bonds2

About 4-fluoropentanenitrile

4-fluoropentanenitrile (PubChem CID 84762016) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 4-fluoropentanenitrile.

Molecular Properties

Compound Name4-fluoropentanenitrile
PubChem CID84762016
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name4-fluoropentanenitrile
SMILESCC(F)CCC#N
InChIInChI=1S/C5H8FN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3
InChIKeyYVGJTRWUOAJUMN-UHFFFAOYSA-N
XLogP1.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoropentanenitrile?
The IUPAC name of 4-fluoropentanenitrile (CID 84762016) is 4-fluoropentanenitrile.
What is the SMILES notation for 4-fluoropentanenitrile?
The canonical SMILES for 4-fluoropentanenitrile is CC(F)CCC#N.
What is the InChIKey of 4-fluoropentanenitrile?
The InChIKey is YVGJTRWUOAJUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3.
What are the key properties of 4-fluoropentanenitrile?
4-fluoropentanenitrile has a molecular weight of 101.12 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropentanenitrile is sourced from PubChem (CID 84762016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).