[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate

C11H11FO3 — CID 101422727

IUPAC[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/c1ccccc1F
InChIInChI=1S/C11H11FO3/c1-14-11(13)15-8-4-6-9-5-2-3-7-10(9)12/h2-7H,8H2,1H3/b6-4+
InChIKeyJBKJCKXJPGQELT-GQCTYLIASA-N
MW210.20 g/mol
LogP2.62
Rot. Bonds3

About [(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate

[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate (PubChem CID 101422727) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is [(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate
PubChem CID101422727
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/c1ccccc1F
InChIInChI=1S/C11H11FO3/c1-14-11(13)15-8-4-6-9-5-2-3-7-10(9)12/h2-7H,8H2,1H3/b6-4+
InChIKeyJBKJCKXJPGQELT-GQCTYLIASA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate?
The IUPAC name of [(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate (CID 101422727) is [(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate is COC(=O)OC/C=C/c1ccccc1F.
What is the InChIKey of [(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate?
The InChIKey is JBKJCKXJPGQELT-GQCTYLIASA-N. The full InChI is InChI=1S/C11H11FO3/c1-14-11(13)15-8-4-6-9-5-2-3-7-10(9)12/h2-7H,8H2,1H3/b6-4+.
What are the key properties of [(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate?
[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate has a molecular weight of 210.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate is sourced from PubChem (CID 101422727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).