2,2-difluoroethyl ethenyl carbonate

C5H6F2O3 — CID 87091206

IUPAC2,2-difluoroethyl ethenyl carbonate
SMILESC=COC(=O)OCC(F)F
InChIInChI=1S/C5H6F2O3/c1-2-9-5(8)10-3-4(6)7/h2,4H,1,3H2
InChIKeyLRTRRTZWJXMMGS-UHFFFAOYSA-N
MW152.10 g/mol
LogP1.55
Rot. Bonds3

About 2,2-difluoroethyl ethenyl carbonate

2,2-difluoroethyl ethenyl carbonate (PubChem CID 87091206) has the molecular formula C5H6F2O3 and a molecular weight of 152.10 g/mol. Its IUPAC name is 2,2-difluoroethyl ethenyl carbonate.

Molecular Properties

Compound Name2,2-difluoroethyl ethenyl carbonate
PubChem CID87091206
Molecular FormulaC5H6F2O3
Molecular Weight152.10 g/mol
Exact Mass152.03
IUPAC Name2,2-difluoroethyl ethenyl carbonate
SMILESC=COC(=O)OCC(F)F
InChIInChI=1S/C5H6F2O3/c1-2-9-5(8)10-3-4(6)7/h2,4H,1,3H2
InChIKeyLRTRRTZWJXMMGS-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethenyl 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-heptadecahydroxynonadecyl carbonate
CID 89096209
azane;chloromethyl ethenyl carbonate
CID 174846723
bis(ethenyl) carbonate;ethene
CID 87073622
ethenyl 2,2,3,3,3-pentafluoropropyl carbonate
CID 164944791
ethenyl 1-fluoroethyl carbonate
CID 90239988
(2-dimethylsilyloxy-3,3-dimethylbutyl) ethenyl carbonate
CID 173002161
ethenoxycarbonyl difluoromethanesulfonate
CID 160609960
2,2-difluoroethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 99769531
ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
CID 22436158
2,2-difluoroethyl 2-fluoropropanoate
CID 141498564
2,2-difluoroethyl 2-methylpropanoate
CID 87205519
ethenyl undecyl carbonate
CID 91692931

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl ethenyl carbonate?
The IUPAC name of 2,2-difluoroethyl ethenyl carbonate (CID 87091206) is 2,2-difluoroethyl ethenyl carbonate.
What is the SMILES notation for 2,2-difluoroethyl ethenyl carbonate?
The canonical SMILES for 2,2-difluoroethyl ethenyl carbonate is C=COC(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl ethenyl carbonate?
The InChIKey is LRTRRTZWJXMMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O3/c1-2-9-5(8)10-3-4(6)7/h2,4H,1,3H2.
What are the key properties of 2,2-difluoroethyl ethenyl carbonate?
2,2-difluoroethyl ethenyl carbonate has a molecular weight of 152.10 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl ethenyl carbonate is sourced from PubChem (CID 87091206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).