2,2-difluoroethyl propyl carbonate

C6H10F2O3 — CID 15985038

IUPAC2,2-difluoroethyl propyl carbonate
SMILESCCCOC(=O)OCC(F)F
InChIInChI=1S/C6H10F2O3/c1-2-3-10-6(9)11-4-5(7)8/h5H,2-4H2,1H3
InChIKeyOCWFSOPZMVESKI-UHFFFAOYSA-N
MW168.14 g/mol
LogP1.81
Rot. Bonds4

About 2,2-difluoroethyl propyl carbonate

2,2-difluoroethyl propyl carbonate (PubChem CID 15985038) has the molecular formula C6H10F2O3 and a molecular weight of 168.14 g/mol. Its IUPAC name is 2,2-difluoroethyl propyl carbonate.

Molecular Properties

Compound Name2,2-difluoroethyl propyl carbonate
PubChem CID15985038
Molecular FormulaC6H10F2O3
Molecular Weight168.14 g/mol
Exact Mass168.06
IUPAC Name2,2-difluoroethyl propyl carbonate
SMILESCCCOC(=O)OCC(F)F
InChIInChI=1S/C6H10F2O3/c1-2-3-10-6(9)11-4-5(7)8/h5H,2-4H2,1H3
InChIKeyOCWFSOPZMVESKI-UHFFFAOYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl propyl carbonate?
The IUPAC name of 2,2-difluoroethyl propyl carbonate (CID 15985038) is 2,2-difluoroethyl propyl carbonate.
What is the SMILES notation for 2,2-difluoroethyl propyl carbonate?
The canonical SMILES for 2,2-difluoroethyl propyl carbonate is CCCOC(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl propyl carbonate?
The InChIKey is OCWFSOPZMVESKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3/c1-2-3-10-6(9)11-4-5(7)8/h5H,2-4H2,1H3.
What are the key properties of 2,2-difluoroethyl propyl carbonate?
2,2-difluoroethyl propyl carbonate has a molecular weight of 168.14 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl propyl carbonate is sourced from PubChem (CID 15985038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).