2,2,4-trifluoro-1,3-dioxolane

C3H3F3O2 — CID 69046232

IUPAC2,2,4-trifluoro-1,3-dioxolane
SMILESFC1COC(F)(F)O1
InChIInChI=1S/C3H3F3O2/c4-2-1-7-3(5,6)8-2/h2H,1H2
InChIKeyMYBOGKHPKGZEIZ-UHFFFAOYSA-N
MW128.05 g/mol
LogP0.88
Rot. Bonds

About 2,2,4-trifluoro-1,3-dioxolane

2,2,4-trifluoro-1,3-dioxolane (PubChem CID 69046232) has the molecular formula C3H3F3O2 and a molecular weight of 128.05 g/mol. Its IUPAC name is 2,2,4-trifluoro-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-1,3-dioxolane
PubChem CID69046232
Molecular FormulaC3H3F3O2
Molecular Weight128.05 g/mol
Exact Mass128.01
IUPAC Name2,2,4-trifluoro-1,3-dioxolane
SMILESFC1COC(F)(F)O1
InChIInChI=1S/C3H3F3O2/c4-2-1-7-3(5,6)8-2/h2H,1H2
InChIKeyMYBOGKHPKGZEIZ-UHFFFAOYSA-N
XLogP0.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.05
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Difluoro-1,3-dioxolan-2-one
CID 22930964
2-(Difluoromethylidene)-1,3-dioxolane
CID 20576357
rel-(4R,5S)-4,5-Difluoro-1,3-dioxolan-2-one
CID 10290792
rel-(4R,5R)-4,5-Difluoro-1,3-dioxolan-2-one
CID 66606971
2,2,4,5-Tetrafluoro-1,3-dioxolane
CID 151605
1,3-Dioxolan-2-one, 4,4-difluoro-
CID 9793752
2,2,4-Trifluoro-5-trifluoromethoxy-1,3-dioxolane
CID 134823995
(4S,5S)-4,5-difluoro-1,3-dioxolan-2-one
CID 10129948
2-Methoxy-2-(trifluoromethyl)-1,3-dioxolane
CID 12665284
2-(Difluoromethyl)-2-fluoro-1,3-dioxolane
CID 18923914
2-Fluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 18923917
4,5-Difluoro-1,3-dioxolane
CID 21479543

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-1,3-dioxolane (CID 69046232) is 2,2,4-trifluoro-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-1,3-dioxolane is FC1COC(F)(F)O1.
What is the InChIKey of 2,2,4-trifluoro-1,3-dioxolane?
The InChIKey is MYBOGKHPKGZEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O2/c4-2-1-7-3(5,6)8-2/h2H,1H2.
What are the key properties of 2,2,4-trifluoro-1,3-dioxolane?
2,2,4-trifluoro-1,3-dioxolane has a molecular weight of 128.05 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-1,3-dioxolane is sourced from PubChem (CID 69046232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).