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

C7H4F10O2 — CID 86167769

IUPAC2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)F)OCCO1
InChIInChI=1S/C7H4F10O2/c8-3(9,6(12,13)14)5(18-1-2-19-5)4(10,11)7(15,16)17/h1-2H2
InChIKeyNOKWHYOCQJPGRQ-UHFFFAOYSA-N
MW310.09 g/mol
LogP3.12
Rot. Bonds2

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

2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane (PubChem CID 86167769) has the molecular formula C7H4F10O2 and a molecular weight of 310.09 g/mol. Its IUPAC name is 2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane
PubChem CID86167769
Molecular FormulaC7H4F10O2
Molecular Weight310.09 g/mol
Exact Mass310.01
IUPAC Name2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane
SMILESFC(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)F)OCCO1
InChIInChI=1S/C7H4F10O2/c8-3(9,6(12,13)14)5(18-1-2-19-5)4(10,11)7(15,16)17/h1-2H2
InChIKeyNOKWHYOCQJPGRQ-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 53.12
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-(2,2,3,3,4,4,4-Heptafluorobutyl)-1,3-dioxolane
CID 11139725
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 9856261
2-Chlorodifluoromethyl-2-tri-fluoromethyl-1,3-dioxolane
CID 88830358
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-(Pentafluoroethyl)-2-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1,3-dioxolane
CID 13464242
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
2,2-Dimethyl-4-(pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 91740244

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane?
The IUPAC name of 2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane (CID 86167769) is 2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane is FC(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)F)OCCO1.
What is the InChIKey of 2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane?
The InChIKey is NOKWHYOCQJPGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F10O2/c8-3(9,6(12,13)14)5(18-1-2-19-5)4(10,11)7(15,16)17/h1-2H2.
What are the key properties of 2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane?
2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane has a molecular weight of 310.09 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolane is sourced from PubChem (CID 86167769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).