4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane

C4H2F6O2 — CID 12846008

IUPAC4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(F)OCOC1(F)F
InChIInChI=1S/C4H2F6O2/c5-2(3(6,7)8)4(9,10)12-1-11-2/h1H2
InChIKeyZBXYWFLMXKQJOA-UHFFFAOYSA-N
MW196.05 g/mol
LogP1.81
Rot. Bonds

About 4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane

4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane (PubChem CID 12846008) has the molecular formula C4H2F6O2 and a molecular weight of 196.05 g/mol. Its IUPAC name is 4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
PubChem CID12846008
Molecular FormulaC4H2F6O2
Molecular Weight196.05 g/mol
Exact Mass196.00
IUPAC Name4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(F)OCOC1(F)F
InChIInChI=1S/C4H2F6O2/c5-2(3(6,7)8)4(9,10)12-1-11-2/h1H2
InChIKeyZBXYWFLMXKQJOA-UHFFFAOYSA-N
XLogP1.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxolane, 4,4,5,5-tetrafluoro-2,2-bis(trifluoromethyl)-
CID 182427
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 9856261
Perfluoro-4-methyl-1,3-dioxolane
CID 11053484
Tetrafluorodioxolane
CID 12846006
4,4,5-Trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane
CID 14297350
4,4-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 21732402
(4R,5R)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 73054756
(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 73054757
2,4,4,5,5-Pentafluoro-1,3-dioxolane
CID 12846016
2,4,4,5-Tetrafluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 12846018
4,4,5-Trifluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 15584747
2,4-Difluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 17876705

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane (CID 12846008) is 4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(F)OCOC1(F)F.
What is the InChIKey of 4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is ZBXYWFLMXKQJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O2/c5-2(3(6,7)8)4(9,10)12-1-11-2/h1H2.
What are the key properties of 4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane?
4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 196.05 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 12846008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).