4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one

C6H5F3O4 — CID 138667827

IUPAC4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC(F)=C(F)F)O1
InChIInChI=1S/C6H5F3O4/c7-3(5(8)9)1-11-4-2-12-6(10)13-4/h4H,1-2H2
InChIKeyDUVJQYBYQOQOJD-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.57
Rot. Bonds3

About 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one

4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one (PubChem CID 138667827) has the molecular formula C6H5F3O4 and a molecular weight of 198.10 g/mol. Its IUPAC name is 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
PubChem CID138667827
Molecular FormulaC6H5F3O4
Molecular Weight198.10 g/mol
Exact Mass198.01
IUPAC Name4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC(F)=C(F)F)O1
InChIInChI=1S/C6H5F3O4/c7-3(5(8)9)1-11-4-2-12-6(10)13-4/h4H,1-2H2
InChIKeyDUVJQYBYQOQOJD-UHFFFAOYSA-N
XLogP1.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one with MolForge

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Related Compounds

4-Methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one
CID 89426146
4-(2-Fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667804
4-(Trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667809
4-(3,3-Difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667810
4-(2-Fluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667811
4-(3,3-Difluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667828
4-(1,1,2,2,2-Pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667864
4-[(Z)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 142556430
4-[(E)-4,4,4-trifluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 142556432
4-(4,4,4-Trifluorobut-2-enoxy)-1,3-dioxolan-2-one
CID 151988142
4-[(Z)-2,3,4,4,4-pentafluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 154962593
4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 154962594

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one (CID 138667827) is 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one is O=C1OCC(OCC(F)=C(F)F)O1.
What is the InChIKey of 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The InChIKey is DUVJQYBYQOQOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O4/c7-3(5(8)9)1-11-4-2-12-6(10)13-4/h4H,1-2H2.
What are the key properties of 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one has a molecular weight of 198.10 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one is sourced from PubChem (CID 138667827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).