2-fluorohex-3-enenitrile

C6H8FN — CID 174912966

IUPAC2-fluorohex-3-enenitrile
SMILESCCC=CC(F)C#N
InChIInChI=1S/C6H8FN/c1-2-3-4-6(7)5-8/h3-4,6H,2H2,1H3
InChIKeyMMACDOVEOOQIAK-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.81
Rot. Bonds2

About 2-fluorohex-3-enenitrile

2-fluorohex-3-enenitrile (PubChem CID 174912966) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 2-fluorohex-3-enenitrile.

Molecular Properties

Compound Name2-fluorohex-3-enenitrile
PubChem CID174912966
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name2-fluorohex-3-enenitrile
SMILESCCC=CC(F)C#N
InChIInChI=1S/C6H8FN/c1-2-3-4-6(7)5-8/h3-4,6H,2H2,1H3
InChIKeyMMACDOVEOOQIAK-UHFFFAOYSA-N
XLogP1.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluorohex-3-enenitrile?
The IUPAC name of 2-fluorohex-3-enenitrile (CID 174912966) is 2-fluorohex-3-enenitrile.
What is the SMILES notation for 2-fluorohex-3-enenitrile?
The canonical SMILES for 2-fluorohex-3-enenitrile is CCC=CC(F)C#N.
What is the InChIKey of 2-fluorohex-3-enenitrile?
The InChIKey is MMACDOVEOOQIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-2-3-4-6(7)5-8/h3-4,6H,2H2,1H3.
What are the key properties of 2-fluorohex-3-enenitrile?
2-fluorohex-3-enenitrile has a molecular weight of 113.13 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorohex-3-enenitrile is sourced from PubChem (CID 174912966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).