4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one

C8H10F2O4 — CID 138667326

IUPAC4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1(C)OCC=C(F)F
InChIInChI=1S/C8H10F2O4/c1-5-8(2,14-7(11)13-5)12-4-3-6(9)10/h3,5H,4H2,1-2H3
InChIKeyYMUFRVRTAZXVDG-UHFFFAOYSA-N
MW208.16 g/mol
LogP2.05
Rot. Bonds3

About 4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one

4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one (PubChem CID 138667326) has the molecular formula C8H10F2O4 and a molecular weight of 208.16 g/mol. Its IUPAC name is 4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one
PubChem CID138667326
Molecular FormulaC8H10F2O4
Molecular Weight208.16 g/mol
Exact Mass208.05
IUPAC Name4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1(C)OCC=C(F)F
InChIInChI=1S/C8H10F2O4/c1-5-8(2,14-7(11)13-5)12-4-3-6(9)10/h3,5H,4H2,1-2H3
InChIKeyYMUFRVRTAZXVDG-UHFFFAOYSA-N
XLogP2.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one?
The IUPAC name of 4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one (CID 138667326) is 4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one is CC1OC(=O)OC1(C)OCC=C(F)F.
What is the InChIKey of 4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one?
The InChIKey is YMUFRVRTAZXVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O4/c1-5-8(2,14-7(11)13-5)12-4-3-6(9)10/h3,5H,4H2,1-2H3.
What are the key properties of 4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one?
4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one has a molecular weight of 208.16 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroprop-2-enoxy)-4,5-dimethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 138667326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).