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

C7H8F2O4 — CID 153312370

IUPAC4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one
SMILESCC(F)(F)COCc1coc(=O)o1
InChIInChI=1S/C7H8F2O4/c1-7(8,9)4-11-2-5-3-12-6(10)13-5/h3H,2,4H2,1H3
InChIKeyMNIZXVCVQCADHG-UHFFFAOYSA-N
MW194.13 g/mol
LogP1.40
Rot. Bonds4

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

4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one (PubChem CID 153312370) has the molecular formula C7H8F2O4 and a molecular weight of 194.13 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one
PubChem CID153312370
Molecular FormulaC7H8F2O4
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one
SMILESCC(F)(F)COCc1coc(=O)o1
InChIInChI=1S/C7H8F2O4/c1-7(8,9)4-11-2-5-3-12-6(10)13-5/h3H,2,4H2,1H3
InChIKeyMNIZXVCVQCADHG-UHFFFAOYSA-N
XLogP1.40
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-5-[(trifluoromethoxy)methyl]-1,3-dioxol-2-one
CID 142753464
4-(2-Fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667804
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxol-2-one
CID 139390777
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-[[2,3,3,3-Tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312365
4-(3,3,3-Trifluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312367
4-[[2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312372
4-(Difluoromethoxymethyl)-1,3-dioxol-2-one
CID 153312380

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one (CID 153312370) is 4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one is CC(F)(F)COCc1coc(=O)o1.
What is the InChIKey of 4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one?
The InChIKey is MNIZXVCVQCADHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O4/c1-7(8,9)4-11-2-5-3-12-6(10)13-5/h3H,2,4H2,1H3.
What are the key properties of 4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one?
4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one has a molecular weight of 194.13 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 153312370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).