2-ethenyl-4-fluorobenzonitrile

C9H6FN — CID 59556337

IUPAC2-ethenyl-4-fluorobenzonitrile
SMILESC=Cc1cc(F)ccc1C#N
InChIInChI=1S/C9H6FN/c1-2-7-5-9(10)4-3-8(7)6-11/h2-5H,1H2
InChIKeyNZAQOTNWXZHGAV-UHFFFAOYSA-N
MW147.15 g/mol
LogP2.34
Rot. Bonds1

About 2-ethenyl-4-fluorobenzonitrile

2-ethenyl-4-fluorobenzonitrile (PubChem CID 59556337) has the molecular formula C9H6FN and a molecular weight of 147.15 g/mol. Its IUPAC name is 2-ethenyl-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-ethenyl-4-fluorobenzonitrile
PubChem CID59556337
Molecular FormulaC9H6FN
Molecular Weight147.15 g/mol
Exact Mass147.05
IUPAC Name2-ethenyl-4-fluorobenzonitrile
SMILESC=Cc1cc(F)ccc1C#N
InChIInChI=1S/C9H6FN/c1-2-7-5-9(10)4-3-8(7)6-11/h2-5H,1H2
InChIKeyNZAQOTNWXZHGAV-UHFFFAOYSA-N
XLogP2.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-fluorobenzonitrile?
The IUPAC name of 2-ethenyl-4-fluorobenzonitrile (CID 59556337) is 2-ethenyl-4-fluorobenzonitrile.
What is the SMILES notation for 2-ethenyl-4-fluorobenzonitrile?
The canonical SMILES for 2-ethenyl-4-fluorobenzonitrile is C=Cc1cc(F)ccc1C#N.
What is the InChIKey of 2-ethenyl-4-fluorobenzonitrile?
The InChIKey is NZAQOTNWXZHGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN/c1-2-7-5-9(10)4-3-8(7)6-11/h2-5H,1H2.
What are the key properties of 2-ethenyl-4-fluorobenzonitrile?
2-ethenyl-4-fluorobenzonitrile has a molecular weight of 147.15 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-fluorobenzonitrile is sourced from PubChem (CID 59556337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).