4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane

C4HF7O3 — CID 89113198

IUPAC4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane
SMILESFC(F)OC1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C4HF7O3/c5-1(6)12-3(9)2(7,8)13-4(10,11)14-3/h1H
InChIKeyJJSMMUVRYUEJJJ-UHFFFAOYSA-N
MW230.03 g/mol
LogP2.04
Rot. Bonds2

About 4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane

4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane (PubChem CID 89113198) has the molecular formula C4HF7O3 and a molecular weight of 230.03 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane
PubChem CID89113198
Molecular FormulaC4HF7O3
Molecular Weight230.03 g/mol
Exact Mass229.98
IUPAC Name4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane
SMILESFC(F)OC1(F)OC(F)(F)OC1(F)F
InChIInChI=1S/C4HF7O3/c5-1(6)12-3(9)2(7,8)13-4(10,11)14-3/h1H
InChIKeyJJSMMUVRYUEJJJ-UHFFFAOYSA-N
XLogP2.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.03
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane?
The IUPAC name of 4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane (CID 89113198) is 4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane.
What is the SMILES notation for 4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane?
The canonical SMILES for 4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane is FC(F)OC1(F)OC(F)(F)OC1(F)F.
What is the InChIKey of 4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane?
The InChIKey is JJSMMUVRYUEJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O3/c5-1(6)12-3(9)2(7,8)13-4(10,11)14-3/h1H.
What are the key properties of 4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane?
4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane has a molecular weight of 230.03 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2,2,4,5,5-pentafluoro-1,3-dioxolane is sourced from PubChem (CID 89113198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).