2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane

C6H4F8O2 — CID 14401465

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C1(C(F)(F)F)OCCO1
InChIInChI=1S/C6H4F8O2/c7-3(8,5(9,10)11)4(6(12,13)14)15-1-2-16-4/h1-2H2
InChIKeyAKRAKULAPQCUPK-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.49
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane

2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 14401465) has the molecular formula C6H4F8O2 and a molecular weight of 260.08 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID14401465
Molecular FormulaC6H4F8O2
Molecular Weight260.08 g/mol
Exact Mass260.01
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C1(C(F)(F)F)OCCO1
InChIInChI=1S/C6H4F8O2/c7-3(8,5(9,10)11)4(6(12,13)14)15-1-2-16-4/h1-2H2
InChIKeyAKRAKULAPQCUPK-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
2-(Heptafluoropropyl)-1,3-dioxolane
CID 86154818
2-(2,2,2-Trifluoroethoxy)-2-(trifluoromethyl)oxirane
CID 14140927
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 9856261
4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 23236997
2-Chlorodifluoromethyl-2-tri-fluoromethyl-1,3-dioxolane
CID 88830358
(S)-4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 90478036
(4R)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 10953703
2-(2,2,2-Trifluoroethyl)-1,3-dioxolane
CID 14066883
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
2-Chloro-difluoro-methyl-2-trifluoromethyl-1,3-dioxolane
CID 129762087

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane (CID 14401465) is 2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C(F)(F)C1(C(F)(F)F)OCCO1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is AKRAKULAPQCUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O2/c7-3(8,5(9,10)11)4(6(12,13)14)15-1-2-16-4/h1-2H2.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane?
2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 260.08 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 14401465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).