1,1-difluoroethyl ethyl carbonate

C5H8F2O3 — CID 87128737

IUPAC1,1-difluoroethyl ethyl carbonate
SMILESCCOC(=O)OC(C)(F)F
InChIInChI=1S/C5H8F2O3/c1-3-9-4(8)10-5(2,6)7/h3H2,1-2H3
InChIKeyLAFQINYKQAYWJM-UHFFFAOYSA-N
MW154.11 g/mol
LogP1.77
Rot. Bonds2

About 1,1-difluoroethyl ethyl carbonate

1,1-difluoroethyl ethyl carbonate (PubChem CID 87128737) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is 1,1-difluoroethyl ethyl carbonate.

Molecular Properties

Compound Name1,1-difluoroethyl ethyl carbonate
PubChem CID87128737
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Name1,1-difluoroethyl ethyl carbonate
SMILESCCOC(=O)OC(C)(F)F
InChIInChI=1S/C5H8F2O3/c1-3-9-4(8)10-5(2,6)7/h3H2,1-2H3
InChIKeyLAFQINYKQAYWJM-UHFFFAOYSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethyl ethyl carbonate?
The IUPAC name of 1,1-difluoroethyl ethyl carbonate (CID 87128737) is 1,1-difluoroethyl ethyl carbonate.
What is the SMILES notation for 1,1-difluoroethyl ethyl carbonate?
The canonical SMILES for 1,1-difluoroethyl ethyl carbonate is CCOC(=O)OC(C)(F)F.
What is the InChIKey of 1,1-difluoroethyl ethyl carbonate?
The InChIKey is LAFQINYKQAYWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c1-3-9-4(8)10-5(2,6)7/h3H2,1-2H3.
What are the key properties of 1,1-difluoroethyl ethyl carbonate?
1,1-difluoroethyl ethyl carbonate has a molecular weight of 154.11 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethyl ethyl carbonate is sourced from PubChem (CID 87128737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).