prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate

C15H15FO2 — CID 69448726

IUPACprop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate
SMILESC=CCOC(=O)c1cccc(C2=C(F)CCC2)c1
InChIInChI=1S/C15H15FO2/c1-2-9-18-15(17)12-6-3-5-11(10-12)13-7-4-8-14(13)16/h2-3,5-6,10H,1,4,7-9H2
InChIKeyVEJUUMIDZVKWNT-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.89
Rot. Bonds4

About prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate

prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate (PubChem CID 69448726) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate.

Molecular Properties

Compound Nameprop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate
PubChem CID69448726
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Nameprop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate
SMILESC=CCOC(=O)c1cccc(C2=C(F)CCC2)c1
InChIInChI=1S/C15H15FO2/c1-2-9-18-15(17)12-6-3-5-11(10-12)13-7-4-8-14(13)16/h2-3,5-6,10H,1,4,7-9H2
InChIKeyVEJUUMIDZVKWNT-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.89
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

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CID 22594829
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
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CID 58125258
prop-2-enyl 3-aminobenzoate;hydrochloride
CID 18930598
prop-2-enyl 3-(prop-2-enoxymethyl)benzoate
CID 167216465
formic acid;prop-2-enyl benzoate
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prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781
prop-2-enyl 3-[1-(1H-imidazol-5-yl)prop-2-enyl]benzoate
CID 70359763
prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 90322332
prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
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ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate?
The IUPAC name of prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate (CID 69448726) is prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate.
What is the SMILES notation for prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate?
The canonical SMILES for prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate is C=CCOC(=O)c1cccc(C2=C(F)CCC2)c1.
What is the InChIKey of prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate?
The InChIKey is VEJUUMIDZVKWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-2-9-18-15(17)12-6-3-5-11(10-12)13-7-4-8-14(13)16/h2-3,5-6,10H,1,4,7-9H2.
What are the key properties of prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate?
prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate has a molecular weight of 246.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate is sourced from PubChem (CID 69448726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).