2,2-difluoroethyl ethyl carbonate

C5H8F2O3 — CID 15985039

IUPAC2,2-difluoroethyl ethyl carbonate
SMILESCCOC(=O)OCC(F)F
InChIInChI=1S/C5H8F2O3/c1-2-9-5(8)10-3-4(6)7/h4H,2-3H2,1H3
InChIKeyWXVCMUWGHFXASO-UHFFFAOYSA-N
MW154.11 g/mol
LogP1.42
Rot. Bonds3

About 2,2-difluoroethyl ethyl carbonate

2,2-difluoroethyl ethyl carbonate (PubChem CID 15985039) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is 2,2-difluoroethyl ethyl carbonate.

Molecular Properties

Compound Name2,2-difluoroethyl ethyl carbonate
PubChem CID15985039
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Name2,2-difluoroethyl ethyl carbonate
SMILESCCOC(=O)OCC(F)F
InChIInChI=1S/C5H8F2O3/c1-2-9-5(8)10-3-4(6)7/h4H,2-3H2,1H3
InChIKeyWXVCMUWGHFXASO-UHFFFAOYSA-N
XLogP1.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2,2,2-trifluoroethyl carbonate
CID 17761042
Ethyl 2,2,2-trifluoroethyl carbonate
CID 21263423
Bis(2,2,3,3-tetrafluoropropyl) Carbonate
CID 11659296
2,2,3,3,4,4,4-Heptafluorobutyl methyl carbonate
CID 22104774
Ethanol, 2-fluoro-, 1,1'-carbonate
CID 9840
Bis(2,2,2-trifluoroethyl) Carbonate
CID 11447463
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
1-Fluoroethyl methyl carbonate
CID 11586304
Bis(2,2-difluoroethyl) carbonate
CID 15985041
1-Fluoroethyl propyl carbonate
CID 150572044
Methyl 2,2,3,3-tetrafluoropropyl carbonate
CID 21263425
Propyl 2,2,2-trifluoroethyl carbonate
CID 85868871

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl ethyl carbonate?
The IUPAC name of 2,2-difluoroethyl ethyl carbonate (CID 15985039) is 2,2-difluoroethyl ethyl carbonate.
What is the SMILES notation for 2,2-difluoroethyl ethyl carbonate?
The canonical SMILES for 2,2-difluoroethyl ethyl carbonate is CCOC(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl ethyl carbonate?
The InChIKey is WXVCMUWGHFXASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c1-2-9-5(8)10-3-4(6)7/h4H,2-3H2,1H3.
What are the key properties of 2,2-difluoroethyl ethyl carbonate?
2,2-difluoroethyl ethyl carbonate has a molecular weight of 154.11 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl ethyl carbonate is sourced from PubChem (CID 15985039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).