3-fluorobutanenitrile

C4H6FN — CID 83855154

IUPAC3-fluorobutanenitrile
SMILESCC(F)CC#N
InChIInChI=1S/C4H6FN/c1-4(5)2-3-6/h4H,2H2,1H3
InChIKeyMFXACTCAPVWMGH-UHFFFAOYSA-N
MW87.10 g/mol
LogP1.26
Rot. Bonds1

About 3-fluorobutanenitrile

3-fluorobutanenitrile (PubChem CID 83855154) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is 3-fluorobutanenitrile.

Molecular Properties

Compound Name3-fluorobutanenitrile
PubChem CID83855154
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC Name3-fluorobutanenitrile
SMILESCC(F)CC#N
InChIInChI=1S/C4H6FN/c1-4(5)2-3-6/h4H,2H2,1H3
InChIKeyMFXACTCAPVWMGH-UHFFFAOYSA-N
XLogP1.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluorobutanenitrile?
The IUPAC name of 3-fluorobutanenitrile (CID 83855154) is 3-fluorobutanenitrile.
What is the SMILES notation for 3-fluorobutanenitrile?
The canonical SMILES for 3-fluorobutanenitrile is CC(F)CC#N.
What is the InChIKey of 3-fluorobutanenitrile?
The InChIKey is MFXACTCAPVWMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c1-4(5)2-3-6/h4H,2H2,1H3.
What are the key properties of 3-fluorobutanenitrile?
3-fluorobutanenitrile has a molecular weight of 87.10 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobutanenitrile is sourced from PubChem (CID 83855154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).