ethenyl 4-fluorobenzoate

C9H7FO2 — CID 54757351

IUPACethenyl 4-fluorobenzoate
SMILESC=COC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H7FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h2-6H,1H2
InChIKeyMZMYCGWPLOTYPQ-UHFFFAOYSA-N
MW166.15 g/mol
LogP2.13
Rot. Bonds2

About ethenyl 4-fluorobenzoate

ethenyl 4-fluorobenzoate (PubChem CID 54757351) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is ethenyl 4-fluorobenzoate.

Molecular Properties

Compound Nameethenyl 4-fluorobenzoate
PubChem CID54757351
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Nameethenyl 4-fluorobenzoate
SMILESC=COC(=O)c1ccc(F)cc1
InChIInChI=1S/C9H7FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h2-6H,1H2
InChIKeyMZMYCGWPLOTYPQ-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethenyl benzoate
CID 158178912
CID 69279397
CID 69279397
fluoro 4-fluorobenzoate
CID 145480473
ethenyl 4-but-3-enoyloxybenzoate
CID 67807480
[(2R)-2-fluorobut-3-enyl] 4-fluorobenzoate
CID 134969528
CID 170307924
CID 170307924
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
ethenyl benzoate;methyl prop-2-enoate
CID 174376809
cyclopropyl 4-fluorobenzoate
CID 126986458
dimethylamino 4-fluorobenzoate
CID 134848619
diphenylstibanyl 4-fluorobenzoate
CID 23234472

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-fluorobenzoate?
The IUPAC name of ethenyl 4-fluorobenzoate (CID 54757351) is ethenyl 4-fluorobenzoate.
What is the SMILES notation for ethenyl 4-fluorobenzoate?
The canonical SMILES for ethenyl 4-fluorobenzoate is C=COC(=O)c1ccc(F)cc1.
What is the InChIKey of ethenyl 4-fluorobenzoate?
The InChIKey is MZMYCGWPLOTYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h2-6H,1H2.
What are the key properties of ethenyl 4-fluorobenzoate?
ethenyl 4-fluorobenzoate has a molecular weight of 166.15 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-fluorobenzoate is sourced from PubChem (CID 54757351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).