2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane

C5H5F3O2 — CID 58927002

IUPAC2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane
SMILESCC1(F)COC(=C(F)F)O1
InChIInChI=1S/C5H5F3O2/c1-5(8)2-9-4(10-5)3(6)7/h2H2,1H3
InChIKeyHXOCUXAFTCUKPO-UHFFFAOYSA-N
MW154.09 g/mol
LogP1.78
Rot. Bonds

About 2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane

2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane (PubChem CID 58927002) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane
PubChem CID58927002
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane
SMILESCC1(F)COC(=C(F)F)O1
InChIInChI=1S/C5H5F3O2/c1-5(8)2-9-4(10-5)3(6)7/h2H2,1H3
InChIKeyHXOCUXAFTCUKPO-UHFFFAOYSA-N
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane?
The IUPAC name of 2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane (CID 58927002) is 2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane is CC1(F)COC(=C(F)F)O1.
What is the InChIKey of 2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane?
The InChIKey is HXOCUXAFTCUKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2/c1-5(8)2-9-4(10-5)3(6)7/h2H2,1H3.
What are the key properties of 2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane?
2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane has a molecular weight of 154.09 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-4-fluoro-4-methyl-1,3-dioxolane is sourced from PubChem (CID 58927002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).