2-(2-cyanoethenyl)-5-fluorobenzonitrile

C10H5FN2 — CID 169483485

IUPAC2-(2-cyanoethenyl)-5-fluorobenzonitrile
SMILESN#CC=Cc1ccc(F)cc1C#N
InChIInChI=1S/C10H5FN2/c11-10-4-3-8(2-1-5-12)9(6-10)7-13/h1-4,6H
InChIKeyMYCCCZJLLHGLIP-UHFFFAOYSA-N
MW172.16 g/mol
LogP2.23
Rot. Bonds1

About 2-(2-cyanoethenyl)-5-fluorobenzonitrile

2-(2-cyanoethenyl)-5-fluorobenzonitrile (PubChem CID 169483485) has the molecular formula C10H5FN2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 2-(2-cyanoethenyl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-cyanoethenyl)-5-fluorobenzonitrile
PubChem CID169483485
Molecular FormulaC10H5FN2
Molecular Weight172.16 g/mol
Exact Mass172.04
IUPAC Name2-(2-cyanoethenyl)-5-fluorobenzonitrile
SMILESN#CC=Cc1ccc(F)cc1C#N
InChIInChI=1S/C10H5FN2/c11-10-4-3-8(2-1-5-12)9(6-10)7-13/h1-4,6H
InChIKeyMYCCCZJLLHGLIP-UHFFFAOYSA-N
XLogP2.23
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-2-methylphenyl)prop-2-enenitrile
CID 54550703
methyl 3-(2-cyano-4-fluorophenyl)prop-2-enoate
CID 54125963
2-[(E)-2-cyanoethenyl]benzonitrile
CID 12698510
N-[4-(2-cyano-4-fluorophenyl)but-3-enyl]acetamide
CID 170488687
2-amino-5-fluorobenzonitrile
CID 2737704
5-fluoro-2-iodobenzonitrile
CID 34175641
5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile
CID 89437028
2-ethenyl-4-fluorobenzonitrile
CID 59556337
(E)-3-(2-fluorophenyl)prop-2-enenitrile
CID 11062531
3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 169483867
tert-butyl (E)-3-(2-cyano-5-fluorophenyl)prop-2-enoate
CID 122389984
2-(cyanomethyl)-5-fluorobenzonitrile
CID 45090709

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoethenyl)-5-fluorobenzonitrile?
The IUPAC name of 2-(2-cyanoethenyl)-5-fluorobenzonitrile (CID 169483485) is 2-(2-cyanoethenyl)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2-cyanoethenyl)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2-cyanoethenyl)-5-fluorobenzonitrile is N#CC=Cc1ccc(F)cc1C#N.
What is the InChIKey of 2-(2-cyanoethenyl)-5-fluorobenzonitrile?
The InChIKey is MYCCCZJLLHGLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2/c11-10-4-3-8(2-1-5-12)9(6-10)7-13/h1-4,6H.
What are the key properties of 2-(2-cyanoethenyl)-5-fluorobenzonitrile?
2-(2-cyanoethenyl)-5-fluorobenzonitrile has a molecular weight of 172.16 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoethenyl)-5-fluorobenzonitrile is sourced from PubChem (CID 169483485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).