4-(difluoromethoxymethyl)-1,3-dioxol-2-one

C5H4F2O4 — CID 153312380

IUPAC4-(difluoromethoxymethyl)-1,3-dioxol-2-one
SMILESO=c1occ(COC(F)F)o1
InChIInChI=1S/C5H4F2O4/c6-4(7)9-1-3-2-10-5(8)11-3/h2,4H,1H2
InChIKeyNJYJVQCGNQYRRI-UHFFFAOYSA-N
MW166.08 g/mol
LogP0.97
Rot. Bonds3

About 4-(difluoromethoxymethyl)-1,3-dioxol-2-one

4-(difluoromethoxymethyl)-1,3-dioxol-2-one (PubChem CID 153312380) has the molecular formula C5H4F2O4 and a molecular weight of 166.08 g/mol. Its IUPAC name is 4-(difluoromethoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(difluoromethoxymethyl)-1,3-dioxol-2-one
PubChem CID153312380
Molecular FormulaC5H4F2O4
Molecular Weight166.08 g/mol
Exact Mass166.01
IUPAC Name4-(difluoromethoxymethyl)-1,3-dioxol-2-one
SMILESO=c1occ(COC(F)F)o1
InChIInChI=1S/C5H4F2O4/c6-4(7)9-1-3-2-10-5(8)11-3/h2,4H,1H2
InChIKeyNJYJVQCGNQYRRI-UHFFFAOYSA-N
XLogP0.97
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.08
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-5-[(trifluoromethoxy)methyl]-1,3-dioxol-2-one
CID 142753464
4-Methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one
CID 89426146
4-(2-Fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667804
4-Prop-2-enoxy-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667806
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxol-2-one
CID 139390777
2,2-Difluoro-4-methylidene-1,3-dioxolane
CID 143810438
4-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3-dioxol-2-one
CID 149735901
4-[[1,1,2,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312351
4-(3,3-Difluorobutoxymethyl)-1,3-dioxol-2-one
CID 153312352
4-(1,1,2,2-Tetrafluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312354
4-[[2,2-Difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312356
4-[[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one
CID 153312357

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(difluoromethoxymethyl)-1,3-dioxol-2-one (CID 153312380) is 4-(difluoromethoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(difluoromethoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(difluoromethoxymethyl)-1,3-dioxol-2-one is O=c1occ(COC(F)F)o1.
What is the InChIKey of 4-(difluoromethoxymethyl)-1,3-dioxol-2-one?
The InChIKey is NJYJVQCGNQYRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2O4/c6-4(7)9-1-3-2-10-5(8)11-3/h2,4H,1H2.
What are the key properties of 4-(difluoromethoxymethyl)-1,3-dioxol-2-one?
4-(difluoromethoxymethyl)-1,3-dioxol-2-one has a molecular weight of 166.08 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 153312380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).