fluoromethyl prop-2-enyl carbonate

C5H7FO3 — CID 87091169

IUPACfluoromethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCF
InChIInChI=1S/C5H7FO3/c1-2-3-8-5(7)9-4-6/h2H,1,3-4H2
InChIKeyZRPBQFWVNBNXAB-UHFFFAOYSA-N
MW134.11 g/mol
LogP1.25
Rot. Bonds3

About fluoromethyl prop-2-enyl carbonate

fluoromethyl prop-2-enyl carbonate (PubChem CID 87091169) has the molecular formula C5H7FO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is fluoromethyl prop-2-enyl carbonate.

Molecular Properties

Compound Namefluoromethyl prop-2-enyl carbonate
PubChem CID87091169
Molecular FormulaC5H7FO3
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Namefluoromethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCF
InChIInChI=1S/C5H7FO3/c1-2-3-8-5(7)9-4-6/h2H,1,3-4H2
InChIKeyZRPBQFWVNBNXAB-UHFFFAOYSA-N
XLogP1.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoromethyl prop-2-enyl carbonate?
The IUPAC name of fluoromethyl prop-2-enyl carbonate (CID 87091169) is fluoromethyl prop-2-enyl carbonate.
What is the SMILES notation for fluoromethyl prop-2-enyl carbonate?
The canonical SMILES for fluoromethyl prop-2-enyl carbonate is C=CCOC(=O)OCF.
What is the InChIKey of fluoromethyl prop-2-enyl carbonate?
The InChIKey is ZRPBQFWVNBNXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO3/c1-2-3-8-5(7)9-4-6/h2H,1,3-4H2.
What are the key properties of fluoromethyl prop-2-enyl carbonate?
fluoromethyl prop-2-enyl carbonate has a molecular weight of 134.11 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl prop-2-enyl carbonate is sourced from PubChem (CID 87091169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).