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

C5F8O3 — CID 59128137

IUPAC4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C5F8O3/c6-2(4(8,9)10)3(7,5(11,12)13)16-1(14)15-2
InChIKeyYUJOJBNFTLTVPD-UHFFFAOYSA-N
MW260.04 g/mol
LogP2.61
Rot. Bonds

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

4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 59128137) has the molecular formula C5F8O3 and a molecular weight of 260.04 g/mol. Its IUPAC name is 4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID59128137
Molecular FormulaC5F8O3
Molecular Weight260.04 g/mol
Exact Mass259.97
IUPAC Name4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C5F8O3/c6-2(4(8,9)10)3(7,5(11,12)13)16-1(14)15-2
InChIKeyYUJOJBNFTLTVPD-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethylene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 86530
1,3-Dioxolane, 4,4,5,5-tetrafluoro-2,2-bis(trifluoromethyl)-
CID 182427
Perfluoro-4-methyl-1,3-dioxolane
CID 11053484
2-(Difluoromethylene)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxole
CID 23085488
(5R)-2-(difluoromethylidene)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 98110089
4,4,5,5-Tetrafluoro-1,3-dioxolan-2-one
CID 13898159
4,5-Difluoro-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 17876706
4-Fluoro-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 17876707
2,4,4,5-Tetrafluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane
CID 19745408
4,4,5-Trifluoro-5-methyl-1,3-dioxolan-2-one
CID 22222697
Hfpo cyclocarbonate
CID 22292381
4,4,5-Trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane
CID 23183649

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one (CID 59128137) is 4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one is O=C1OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is YUJOJBNFTLTVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8O3/c6-2(4(8,9)10)3(7,5(11,12)13)16-1(14)15-2.
What are the key properties of 4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one?
4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 260.04 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 59128137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).