[(E)-2-fluoro-3-phenylprop-2-enyl] acetate

C11H11FO2 — CID 5363797

IUPAC[(E)-2-fluoro-3-phenylprop-2-enyl] acetate
SMILESCC(=O)OC/C(F)=C\c1ccccc1
InChIInChI=1S/C11H11FO2/c1-9(13)14-8-11(12)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3/b11-7+
InChIKeyWMOPGNJNLNIWRQ-YRNVUSSQSA-N
MW194.20 g/mol
LogP2.56
Rot. Bonds3

About [(E)-2-fluoro-3-phenylprop-2-enyl] acetate

[(E)-2-fluoro-3-phenylprop-2-enyl] acetate (PubChem CID 5363797) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is [(E)-2-fluoro-3-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-fluoro-3-phenylprop-2-enyl] acetate
PubChem CID5363797
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name[(E)-2-fluoro-3-phenylprop-2-enyl] acetate
SMILESCC(=O)OC/C(F)=C\c1ccccc1
InChIInChI=1S/C11H11FO2/c1-9(13)14-8-11(12)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3/b11-7+
InChIKeyWMOPGNJNLNIWRQ-YRNVUSSQSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl acetate
CID 8785
(+)-Kavain
CID 5281565
Cinnamyl Acetate
CID 5282110
Methyl Cinnamate
CID 637520
Ethyl Cinnamate
CID 637758
Cinnamyl isobutyrate
CID 5355851
Desmethoxyyangonin
CID 5273621
Linalyl cinnamate
CID 5355858
Benzyl propionate
CID 31219
3-Phenylpropyl acetate
CID 31226
Isoamyl Cinnamate
CID 5273467
Allyl Cinnamate
CID 641423

Frequently Asked Questions

What is the IUPAC name of [(E)-2-fluoro-3-phenylprop-2-enyl] acetate?
The IUPAC name of [(E)-2-fluoro-3-phenylprop-2-enyl] acetate (CID 5363797) is [(E)-2-fluoro-3-phenylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-2-fluoro-3-phenylprop-2-enyl] acetate?
The canonical SMILES for [(E)-2-fluoro-3-phenylprop-2-enyl] acetate is CC(=O)OC/C(F)=C\c1ccccc1.
What is the InChIKey of [(E)-2-fluoro-3-phenylprop-2-enyl] acetate?
The InChIKey is WMOPGNJNLNIWRQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H11FO2/c1-9(13)14-8-11(12)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3/b11-7+.
What are the key properties of [(E)-2-fluoro-3-phenylprop-2-enyl] acetate?
[(E)-2-fluoro-3-phenylprop-2-enyl] acetate has a molecular weight of 194.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-fluoro-3-phenylprop-2-enyl] acetate is sourced from PubChem (CID 5363797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).