2,2-difluoroethyl prop-2-enyl carbonate

C6H8F2O3 — CID 87091375

IUPAC2,2-difluoroethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC(F)F
InChIInChI=1S/C6H8F2O3/c1-2-3-10-6(9)11-4-5(7)8/h2,5H,1,3-4H2
InChIKeyBZMMJHGQJSEZKX-UHFFFAOYSA-N
MW166.12 g/mol
LogP1.59
Rot. Bonds4

About 2,2-difluoroethyl prop-2-enyl carbonate

2,2-difluoroethyl prop-2-enyl carbonate (PubChem CID 87091375) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is 2,2-difluoroethyl prop-2-enyl carbonate.

Molecular Properties

Compound Name2,2-difluoroethyl prop-2-enyl carbonate
PubChem CID87091375
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name2,2-difluoroethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC(F)F
InChIInChI=1S/C6H8F2O3/c1-2-3-10-6(9)11-4-5(7)8/h2,5H,1,3-4H2
InChIKeyBZMMJHGQJSEZKX-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 51.59
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 2,2-difluoroethyl prop-2-enyl carbonate?
The IUPAC name of 2,2-difluoroethyl prop-2-enyl carbonate (CID 87091375) is 2,2-difluoroethyl prop-2-enyl carbonate.
What is the SMILES notation for 2,2-difluoroethyl prop-2-enyl carbonate?
The canonical SMILES for 2,2-difluoroethyl prop-2-enyl carbonate is C=CCOC(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl prop-2-enyl carbonate?
The InChIKey is BZMMJHGQJSEZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O3/c1-2-3-10-6(9)11-4-5(7)8/h2,5H,1,3-4H2.
What are the key properties of 2,2-difluoroethyl prop-2-enyl carbonate?
2,2-difluoroethyl prop-2-enyl carbonate has a molecular weight of 166.12 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl prop-2-enyl carbonate is sourced from PubChem (CID 87091375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).