2-fluoro-5-prop-2-enylbenzonitrile

C10H8FN — CID 24721770

IUPAC2-fluoro-5-prop-2-enylbenzonitrile
SMILESC=CCc1ccc(F)c(C#N)c1
InChIInChI=1S/C10H8FN/c1-2-3-8-4-5-10(11)9(6-8)7-12/h2,4-6H,1,3H2
InChIKeyOHYCBLWDRUBFHB-UHFFFAOYSA-N
MW161.18 g/mol
LogP2.43
Rot. Bonds2

About 2-fluoro-5-prop-2-enylbenzonitrile

2-fluoro-5-prop-2-enylbenzonitrile (PubChem CID 24721770) has the molecular formula C10H8FN and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-fluoro-5-prop-2-enylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-5-prop-2-enylbenzonitrile
PubChem CID24721770
Molecular FormulaC10H8FN
Molecular Weight161.18 g/mol
Exact Mass161.06
IUPAC Name2-fluoro-5-prop-2-enylbenzonitrile
SMILESC=CCc1ccc(F)c(C#N)c1
InChIInChI=1S/C10H8FN/c1-2-3-8-4-5-10(11)9(6-8)7-12/h2,4-6H,1,3H2
InChIKeyOHYCBLWDRUBFHB-UHFFFAOYSA-N
XLogP2.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(2-hydroxyethyl)benzonitrile
CID 83390737
5-[2-(3,5-difluorophenyl)ethyl]-2-fluorobenzonitrile
CID 68724768
2,6-difluoro-4-[2-[4-[2-(4-prop-2-enylphenyl)ethyl]phenyl]ethyl]benzonitrile
CID 139901751
N-[(3-cyano-4-fluorophenyl)methyl]formamide
CID 87090895
2-fluoro-1-methyl-4-prop-2-enylbenzene
CID 2759034
5-(tert-butylsulfanylmethyl)-2-fluorobenzonitrile
CID 103758835
5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile
CID 107880389
2-fluoro-5-(phenylsulfanylmethyl)benzonitrile
CID 103758773
2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile
CID 103758746
5-(3-aminopropylsulfanylmethyl)-2-fluorobenzonitrile
CID 107881810
5-(4-chlorophenyl)-2-fluorobenzonitrile
CID 164513732
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-prop-2-enylbenzonitrile?
The IUPAC name of 2-fluoro-5-prop-2-enylbenzonitrile (CID 24721770) is 2-fluoro-5-prop-2-enylbenzonitrile.
What is the SMILES notation for 2-fluoro-5-prop-2-enylbenzonitrile?
The canonical SMILES for 2-fluoro-5-prop-2-enylbenzonitrile is C=CCc1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-prop-2-enylbenzonitrile?
The InChIKey is OHYCBLWDRUBFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN/c1-2-3-8-4-5-10(11)9(6-8)7-12/h2,4-6H,1,3H2.
What are the key properties of 2-fluoro-5-prop-2-enylbenzonitrile?
2-fluoro-5-prop-2-enylbenzonitrile has a molecular weight of 161.18 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-prop-2-enylbenzonitrile is sourced from PubChem (CID 24721770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).