3-(fluoromethyl)pentanenitrile

C6H10FN — CID 105427043

IUPAC3-(fluoromethyl)pentanenitrile
SMILESCCC(CF)CC#N
InChIInChI=1S/C6H10FN/c1-2-6(5-7)3-4-8/h6H,2-3,5H2,1H3
InChIKeyVFBBKDABFOYGGW-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.90
Rot. Bonds3

About 3-(fluoromethyl)pentanenitrile

3-(fluoromethyl)pentanenitrile (PubChem CID 105427043) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 3-(fluoromethyl)pentanenitrile.

Molecular Properties

Compound Name3-(fluoromethyl)pentanenitrile
PubChem CID105427043
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name3-(fluoromethyl)pentanenitrile
SMILESCCC(CF)CC#N
InChIInChI=1S/C6H10FN/c1-2-6(5-7)3-4-8/h6H,2-3,5H2,1H3
InChIKeyVFBBKDABFOYGGW-UHFFFAOYSA-N
XLogP1.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)pentanenitrile?
The IUPAC name of 3-(fluoromethyl)pentanenitrile (CID 105427043) is 3-(fluoromethyl)pentanenitrile.
What is the SMILES notation for 3-(fluoromethyl)pentanenitrile?
The canonical SMILES for 3-(fluoromethyl)pentanenitrile is CCC(CF)CC#N.
What is the InChIKey of 3-(fluoromethyl)pentanenitrile?
The InChIKey is VFBBKDABFOYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-2-6(5-7)3-4-8/h6H,2-3,5H2,1H3.
What are the key properties of 3-(fluoromethyl)pentanenitrile?
3-(fluoromethyl)pentanenitrile has a molecular weight of 115.15 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)pentanenitrile is sourced from PubChem (CID 105427043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).