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

C8H10F2O4 — CID 153312352

IUPAC4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one
SMILESCC(F)(F)CCOCc1coc(=O)o1
InChIInChI=1S/C8H10F2O4/c1-8(9,10)2-3-12-4-6-5-13-7(11)14-6/h5H,2-4H2,1H3
InChIKeyQAXYIMCTSJOTQW-UHFFFAOYSA-N
MW208.16 g/mol
LogP1.79
Rot. Bonds5

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

4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one (PubChem CID 153312352) has the molecular formula C8H10F2O4 and a molecular weight of 208.16 g/mol. Its IUPAC name is 4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one
PubChem CID153312352
Molecular FormulaC8H10F2O4
Molecular Weight208.16 g/mol
Exact Mass208.05
IUPAC Name4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one
SMILESCC(F)(F)CCOCc1coc(=O)o1
InChIInChI=1S/C8H10F2O4/c1-8(9,10)2-3-12-4-6-5-13-7(11)14-6/h5H,2-4H2,1H3
InChIKeyQAXYIMCTSJOTQW-UHFFFAOYSA-N
XLogP1.79
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,3-Difluoroprop-2-enoxy)-4-ethyl-1,3-dioxolan-2-one
CID 138667832
4-Ethyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667835
4-Ethyl-4-(2-fluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667837
4-(2-Fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
CID 138667863
4-(3,3-Difluoroprop-2-enoxy)-4-propyl-1,3-dioxolan-2-one
CID 138668560
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxol-2-one
CID 139390777
4-ethyl-4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 147307453
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-(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-(2,2,3,3,4,4,5,5-Octafluoropentoxymethyl)-1,3-dioxol-2-one
CID 153312364

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one (CID 153312352) is 4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one is CC(F)(F)CCOCc1coc(=O)o1.
What is the InChIKey of 4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one?
The InChIKey is QAXYIMCTSJOTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O4/c1-8(9,10)2-3-12-4-6-5-13-7(11)14-6/h5H,2-4H2,1H3.
What are the key properties of 4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one?
4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one has a molecular weight of 208.16 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 153312352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).