[(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate

C13H13FO3 — CID 102473617

IUPAC[(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C(=C(/C)F)c1ccccc1
InChIInChI=1S/C13H13FO3/c1-3-9-16-13(15)17-12(10(2)14)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3/b12-10-
InChIKeyGYQRIJRTDMRNKF-BENRWUELSA-N
MW236.24 g/mol
LogP3.68
Rot. Bonds4

About [(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate

[(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate (PubChem CID 102473617) has the molecular formula C13H13FO3 and a molecular weight of 236.24 g/mol. Its IUPAC name is [(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate
PubChem CID102473617
Molecular FormulaC13H13FO3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name[(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C(=C(/C)F)c1ccccc1
InChIInChI=1S/C13H13FO3/c1-3-9-16-13(15)17-12(10(2)14)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3/b12-10-
InChIKeyGYQRIJRTDMRNKF-BENRWUELSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
formic acid;prop-2-enyl benzoate
CID 174813743
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
CID 102038420
prop-2-enyl 2-benzamidopropanoate
CID 2910482
benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
CID 174794359
prop-2-enyl 3-phenylbenzoate
CID 22594829
bis(prop-2-enyl) 2,3-dibenzoyl-2,3-dihydroxybutanedioate
CID 139918601
benzyl [(E)-2,4-dimethyl-1-phenylpent-1-enyl] carbonate
CID 11023790
ethyl 1-phenylethenyl carbonate
CID 10081285
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate?
The IUPAC name of [(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate (CID 102473617) is [(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate.
What is the SMILES notation for [(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate?
The canonical SMILES for [(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate is C=CCOC(=O)O/C(=C(/C)F)c1ccccc1.
What is the InChIKey of [(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate?
The InChIKey is GYQRIJRTDMRNKF-BENRWUELSA-N. The full InChI is InChI=1S/C13H13FO3/c1-3-9-16-13(15)17-12(10(2)14)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3/b12-10-.
What are the key properties of [(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate?
[(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate has a molecular weight of 236.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-1-phenylprop-1-enyl] prop-2-enyl carbonate is sourced from PubChem (CID 102473617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).