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

C5H3F3O3 — CID 89426143

IUPAC4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1C(F)(F)F
InChIInChI=1S/C5H3F3O3/c1-2-3(5(6,7)8)11-4(9)10-2/h3H,1H2
InChIKeyNHYJUMHECBQQDR-UHFFFAOYSA-N
MW168.07 g/mol
LogP1.60
Rot. Bonds

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

4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 89426143) has the molecular formula C5H3F3O3 and a molecular weight of 168.07 g/mol. Its IUPAC name is 4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID89426143
Molecular FormulaC5H3F3O3
Molecular Weight168.07 g/mol
Exact Mass168.00
IUPAC Name4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESC=C1OC(=O)OC1C(F)(F)F
InChIInChI=1S/C5H3F3O3/c1-2-3(5(6,7)8)11-4(9)10-2/h3H,1H2
InChIKeyNHYJUMHECBQQDR-UHFFFAOYSA-N
XLogP1.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.07
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-5-methylene-1,3-dioxolan-2-one
CID 13573812
4-(1-Fluoroethenyl)-1,3-dioxolan-2-one
CID 69479594
4-Fluoro-5-methylidene-1,3-dioxolan-2-one
CID 89425137
4-Methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one
CID 89426146
4-Methylidene-5-(1,2,2-trifluoroethenyl)-1,3-dioxolan-2-one
CID 89658850
4-(2,2-Difluoroethenyl)-1,3-dioxolan-2-one
CID 89936264
(4Z)-4-(fluoromethylidene)-1,3-dioxolan-2-one
CID 118126719
4-(Fluoromethylidene)-1,3-dioxolan-2-one
CID 118126720
4-(Difluoromethylidene)-1,3-dioxolan-2-one
CID 140012558
2,2-Difluoro-4-methylidene-1,3-dioxolane
CID 143810438
5-Ethenyl-4,4-difluoro-1,3-dioxolan-2-one
CID 150012093
4-(Trifluoromethoxymethyl)-1,3-dioxol-2-one
CID 153312386

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one (CID 89426143) is 4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one is C=C1OC(=O)OC1C(F)(F)F.
What is the InChIKey of 4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is NHYJUMHECBQQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O3/c1-2-3(5(6,7)8)11-4(9)10-2/h3H,1H2.
What are the key properties of 4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one?
4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 168.07 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 89426143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).