[[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite

C8H12F4O4 — CID 58731900

IUPAC[[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite
SMILESCCOC(C)(F)C1(C(F)(F)OF)OCCO1
InChIInChI=1S/C8H12F4O4/c1-3-13-6(2,9)7(8(10,11)16-12)14-4-5-15-7/h3-5H2,1-2H3
InChIKeyAHLOEAPEZOLBRD-UHFFFAOYSA-N
MW248.17 g/mol
LogP1.95
Rot. Bonds5

About [[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite

[[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite (PubChem CID 58731900) has the molecular formula C8H12F4O4 and a molecular weight of 248.17 g/mol. Its IUPAC name is [[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite.

Molecular Properties

Compound Name[[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite
PubChem CID58731900
Molecular FormulaC8H12F4O4
Molecular Weight248.17 g/mol
Exact Mass248.07
IUPAC Name[[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite
SMILESCCOC(C)(F)C1(C(F)(F)OF)OCCO1
InChIInChI=1S/C8H12F4O4/c1-3-13-6(2,9)7(8(10,11)16-12)14-4-5-15-7/h3-5H2,1-2H3
InChIKeyAHLOEAPEZOLBRD-UHFFFAOYSA-N
XLogP1.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2,3,3,4,4,4-Heptafluorobutoxy)methyl]-1,3-dioxolan-2-one
CID 54456817
2,2-Dimethyl-4-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]-1,3-dioxolane
CID 10893921
2,2-Dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane
CID 15472345
2,2-Dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1,3-dioxolane
CID 15472346
3,3-Diethoxyperfluoro-2-methyloxolane
CID 129762031
3,3-Di-isopropoxyperfluoro-2-methyloxolane
CID 129762070
6,6,12,12-Tetrafluoro-1,4,8,11-tetraoxadispiro[4.1.47.15]dodecane
CID 276078
2,2-Dimethyl-4-(2,2,2-trifluoro-1-methoxyethyl)-1,3-dioxolane
CID 73826838
2,2-Dimethyl-4-(pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 91740244
2-Methoxy-2-(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane
CID 14401455
2-(Trifluoromethyl)-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-1,3-dioxolane
CID 14401462
2,2-Bis(2-methoxytetrafluoroethyl)-1,3-dioxolane
CID 14401463

Frequently Asked Questions

What is the IUPAC name of [[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite?
The IUPAC name of [[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite (CID 58731900) is [[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite.
What is the SMILES notation for [[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite?
The canonical SMILES for [[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite is CCOC(C)(F)C1(C(F)(F)OF)OCCO1.
What is the InChIKey of [[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite?
The InChIKey is AHLOEAPEZOLBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O4/c1-3-13-6(2,9)7(8(10,11)16-12)14-4-5-15-7/h3-5H2,1-2H3.
What are the key properties of [[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite?
[[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite has a molecular weight of 248.17 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(1-ethoxy-1-fluoroethyl)-1,3-dioxolan-2-yl]-difluoromethyl] hypofluorite is sourced from PubChem (CID 58731900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).