[(Z)-hex-2-enyl] 4-fluorobenzoate

C13H15FO2 — CID 30979309

IUPAC[(Z)-hex-2-enyl] 4-fluorobenzoate
SMILESCCC/C=C\COC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FO2/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h4-9H,2-3,10H2,1H3/b5-4-
InChIKeyCHVGBRKRRIGIFD-PLNGDYQASA-N
MW222.26 g/mol
LogP3.34
Rot. Bonds5

About [(Z)-hex-2-enyl] 4-fluorobenzoate

[(Z)-hex-2-enyl] 4-fluorobenzoate (PubChem CID 30979309) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is [(Z)-hex-2-enyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[(Z)-hex-2-enyl] 4-fluorobenzoate
PubChem CID30979309
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name[(Z)-hex-2-enyl] 4-fluorobenzoate
SMILESCCC/C=C\COC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FO2/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h4-9H,2-3,10H2,1H3/b5-4-
InChIKeyCHVGBRKRRIGIFD-PLNGDYQASA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-heptadec-2-enyl] 4-hydroxybenzoate
CID 101322335
[(E)-non-2-enyl] 4-hydroxybenzoate
CID 101322245
4-O-[(E)-dodec-2-enyl] 1-O-nonyl benzene-1,4-dicarboxylate
CID 91740438
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
[(E)-hex-2-enyl] 2-hydroxybenzoate
CID 6437473
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate
CID 15312626
fluoro 4-fluorobenzoate
CID 145480473
(2-fluoro-2-methylpropyl) 4-fluorobenzoate
CID 146162315
[(E)-dec-4-enyl] 4-hydroxybenzoate
CID 101322255
4-O-[(E)-but-2-enyl] 1-O-pentadecyl benzene-1,4-dicarboxylate
CID 91743836
[(E)-3-bromo-3-phenylprop-2-enyl] 4-fluorobenzoate
CID 135038645

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-2-enyl] 4-fluorobenzoate?
The IUPAC name of [(Z)-hex-2-enyl] 4-fluorobenzoate (CID 30979309) is [(Z)-hex-2-enyl] 4-fluorobenzoate.
What is the SMILES notation for [(Z)-hex-2-enyl] 4-fluorobenzoate?
The canonical SMILES for [(Z)-hex-2-enyl] 4-fluorobenzoate is CCC/C=C\COC(=O)c1ccc(F)cc1.
What is the InChIKey of [(Z)-hex-2-enyl] 4-fluorobenzoate?
The InChIKey is CHVGBRKRRIGIFD-PLNGDYQASA-N. The full InChI is InChI=1S/C13H15FO2/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h4-9H,2-3,10H2,1H3/b5-4-.
What are the key properties of [(Z)-hex-2-enyl] 4-fluorobenzoate?
[(Z)-hex-2-enyl] 4-fluorobenzoate has a molecular weight of 222.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-2-enyl] 4-fluorobenzoate is sourced from PubChem (CID 30979309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).