2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane

C5H3F7O2 — CID 12846019

IUPAC2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(F)OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C5H3F7O2/c1-2(6)13-3(7,4(8,9)10)5(11,12)14-2/h1H3
InChIKeyZIZQNYOOEAOHBX-UHFFFAOYSA-N
MW228.06 g/mol
LogP2.50
Rot. Bonds

About 2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane

2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane (PubChem CID 12846019) has the molecular formula C5H3F7O2 and a molecular weight of 228.06 g/mol. Its IUPAC name is 2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
PubChem CID12846019
Molecular FormulaC5H3F7O2
Molecular Weight228.06 g/mol
Exact Mass228.00
IUPAC Name2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
SMILESCC1(F)OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C5H3F7O2/c1-2(6)13-3(7,4(8,9)10)5(11,12)14-2/h1H3
InChIKeyZIZQNYOOEAOHBX-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
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
4,4-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 21732402
2,2-Bis(difluoromethyl)-1,3-dioxolane
CID 21731045
2,2-Bis(difluoromethyl)-4,5-difluoro-1,3-dioxolane
CID 21731048
(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-2-methyl-1,3-dioxolane
CID 12846017
2-(1,1,2,2,2-Pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 14401465
2,2,4-Tris(trifluoromethyl)-1,3-dioxolane
CID 15123682

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane (CID 12846019) is 2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane is CC1(F)OC(F)(F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is ZIZQNYOOEAOHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O2/c1-2(6)13-3(7,4(8,9)10)5(11,12)14-2/h1H3.
What are the key properties of 2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane?
2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 228.06 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 12846019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).