bis(1-fluoroprop-2-enyl) carbonate

C7H8F2O3 — CID 87197213

IUPACbis(1-fluoroprop-2-enyl) carbonate
SMILESC=CC(F)OC(=O)OC(F)C=C
InChIInChI=1S/C7H8F2O3/c1-3-5(8)11-7(10)12-6(9)4-2/h3-6H,1-2H2
InChIKeySLLHTKVEDOSFHT-UHFFFAOYSA-N
MW178.13 g/mol
LogP2.10
Rot. Bonds4

About bis(1-fluoroprop-2-enyl) carbonate

bis(1-fluoroprop-2-enyl) carbonate (PubChem CID 87197213) has the molecular formula C7H8F2O3 and a molecular weight of 178.13 g/mol. Its IUPAC name is bis(1-fluoroprop-2-enyl) carbonate.

Molecular Properties

Compound Namebis(1-fluoroprop-2-enyl) carbonate
PubChem CID87197213
Molecular FormulaC7H8F2O3
Molecular Weight178.13 g/mol
Exact Mass178.04
IUPAC Namebis(1-fluoroprop-2-enyl) carbonate
SMILESC=CC(F)OC(=O)OC(F)C=C
InChIInChI=1S/C7H8F2O3/c1-3-5(8)11-7(10)12-6(9)4-2/h3-6H,1-2H2
InChIKeySLLHTKVEDOSFHT-UHFFFAOYSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 52.10
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 bis(1-fluoroprop-2-enyl) carbonate?
The IUPAC name of bis(1-fluoroprop-2-enyl) carbonate (CID 87197213) is bis(1-fluoroprop-2-enyl) carbonate.
What is the SMILES notation for bis(1-fluoroprop-2-enyl) carbonate?
The canonical SMILES for bis(1-fluoroprop-2-enyl) carbonate is C=CC(F)OC(=O)OC(F)C=C.
What is the InChIKey of bis(1-fluoroprop-2-enyl) carbonate?
The InChIKey is SLLHTKVEDOSFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O3/c1-3-5(8)11-7(10)12-6(9)4-2/h3-6H,1-2H2.
What are the key properties of bis(1-fluoroprop-2-enyl) carbonate?
bis(1-fluoroprop-2-enyl) carbonate has a molecular weight of 178.13 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-fluoroprop-2-enyl) carbonate is sourced from PubChem (CID 87197213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).