4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one

C5H3F3O4 — CID 89426146

IUPAC4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1OC(F)(F)F
InChIInChI=1S/C5H3F3O4/c1-2-3(11-4(9)10-2)12-5(6,7)8/h3H,1H2
InChIKeyWXZVAJOYYFHNND-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.53
Rot. Bonds1

About 4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one

4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one (PubChem CID 89426146) has the molecular formula C5H3F3O4 and a molecular weight of 184.07 g/mol. Its IUPAC name is 4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one
PubChem CID89426146
Molecular FormulaC5H3F3O4
Molecular Weight184.07 g/mol
Exact Mass184.00
IUPAC Name4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1OC(F)(F)F
InChIInChI=1S/C5H3F3O4/c1-2-3(11-4(9)10-2)12-5(6,7)8/h3H,1H2
InChIKeyWXZVAJOYYFHNND-UHFFFAOYSA-N
XLogP1.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Fluoro-5-methylidene-1,3-dioxolan-2-one
CID 89425137
4-Methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one
CID 89426143
(4Z)-4-(fluoromethylidene)-1,3-dioxolan-2-one
CID 118126719
4-(Fluoromethylidene)-1,3-dioxolan-2-one
CID 118126720
4-(2-Fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667804
4-(2-Fluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667811
4-(2,3,3-Trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667827
4-(3,3-Difluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667828
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxol-2-one
CID 139390777
4-(Difluoromethylidene)-1,3-dioxolan-2-one
CID 140012558
2,2-Difluoro-4-methylidene-1,3-dioxolane
CID 143810438
4-(3,3,3-Trifluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312367

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one?
The IUPAC name of 4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one (CID 89426146) is 4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one?
The canonical SMILES for 4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one is C=C1OC(=O)OC1OC(F)(F)F.
What is the InChIKey of 4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one?
The InChIKey is WXZVAJOYYFHNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O4/c1-2-3(11-4(9)10-2)12-5(6,7)8/h3H,1H2.
What are the key properties of 4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one?
4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one has a molecular weight of 184.07 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one is sourced from PubChem (CID 89426146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).