2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane

C6H5F5O2 — CID 58961454

IUPAC2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane
SMILESCCC1(F)OC(=C(F)F)OC1(F)F
InChIInChI=1S/C6H5F5O2/c1-2-5(9)6(10,11)13-4(12-5)3(7)8/h2H2,1H3
InChIKeyOKCLDUQJVHXHAC-UHFFFAOYSA-N
MW204.09 g/mol
LogP2.77
Rot. Bonds1

About 2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane

2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane (PubChem CID 58961454) has the molecular formula C6H5F5O2 and a molecular weight of 204.09 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane.

Molecular Properties

Compound Name2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane
PubChem CID58961454
Molecular FormulaC6H5F5O2
Molecular Weight204.09 g/mol
Exact Mass204.02
IUPAC Name2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane
SMILESCCC1(F)OC(=C(F)F)OC1(F)F
InChIInChI=1S/C6H5F5O2/c1-2-5(9)6(10,11)13-4(12-5)3(7)8/h2H2,1H3
InChIKeyOKCLDUQJVHXHAC-UHFFFAOYSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.09
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane?
The IUPAC name of 2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane (CID 58961454) is 2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane.
What is the SMILES notation for 2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane?
The canonical SMILES for 2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane is CCC1(F)OC(=C(F)F)OC1(F)F.
What is the InChIKey of 2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane?
The InChIKey is OKCLDUQJVHXHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O2/c1-2-5(9)6(10,11)13-4(12-5)3(7)8/h2H2,1H3.
What are the key properties of 2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane?
2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane has a molecular weight of 204.09 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-4-ethyl-4,5,5-trifluoro-1,3-dioxolane is sourced from PubChem (CID 58961454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).