2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol

C4HF5O3 — CID 89192215

IUPAC2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol
SMILESOC1(F)OC(=C(F)F)OC1(F)F
InChIInChI=1S/C4HF5O3/c5-1(6)2-11-3(7,8)4(9,10)12-2/h10H
InChIKeyLUQXTBWEZNBKMK-UHFFFAOYSA-N
MW192.04 g/mol
LogP1.31
Rot. Bonds

About 2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol

2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol (PubChem CID 89192215) has the molecular formula C4HF5O3 and a molecular weight of 192.04 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol.

Molecular Properties

Compound Name2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol
PubChem CID89192215
Molecular FormulaC4HF5O3
Molecular Weight192.04 g/mol
Exact Mass191.98
IUPAC Name2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol
SMILESOC1(F)OC(=C(F)F)OC1(F)F
InChIInChI=1S/C4HF5O3/c5-1(6)2-11-3(7,8)4(9,10)12-2/h10H
InChIKeyLUQXTBWEZNBKMK-UHFFFAOYSA-N
XLogP1.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethylene)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 22283745
[2-(Difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl] hypofluorite
CID 140600439

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol?
The IUPAC name of 2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol (CID 89192215) is 2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol.
What is the SMILES notation for 2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol?
The canonical SMILES for 2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol is OC1(F)OC(=C(F)F)OC1(F)F.
What is the InChIKey of 2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol?
The InChIKey is LUQXTBWEZNBKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5O3/c5-1(6)2-11-3(7,8)4(9,10)12-2/h10H.
What are the key properties of 2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol?
2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol has a molecular weight of 192.04 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-ol is sourced from PubChem (CID 89192215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).