4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane

C4H4F4O2 — CID 12846007

IUPAC4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane
SMILESCC1OC(F)(F)C(F)(F)O1
InChIInChI=1S/C4H4F4O2/c1-2-9-3(5,6)4(7,8)10-2/h2H,1H3
InChIKeyYYHQZQWINLSRJW-UHFFFAOYSA-N
MW160.07 g/mol
LogP1.56
Rot. Bonds

About 4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane

4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane (PubChem CID 12846007) has the molecular formula C4H4F4O2 and a molecular weight of 160.07 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane
PubChem CID12846007
Molecular FormulaC4H4F4O2
Molecular Weight160.07 g/mol
Exact Mass160.01
IUPAC Name4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane
SMILESCC1OC(F)(F)C(F)(F)O1
InChIInChI=1S/C4H4F4O2/c1-2-9-3(5,6)4(7,8)10-2/h2H,1H3
InChIKeyYYHQZQWINLSRJW-UHFFFAOYSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane?
The IUPAC name of 4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane (CID 12846007) is 4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane.
What is the SMILES notation for 4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane?
The canonical SMILES for 4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane is CC1OC(F)(F)C(F)(F)O1.
What is the InChIKey of 4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane?
The InChIKey is YYHQZQWINLSRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O2/c1-2-9-3(5,6)4(7,8)10-2/h2H,1H3.
What are the key properties of 4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane?
4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane has a molecular weight of 160.07 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-2-methyl-1,3-dioxolane is sourced from PubChem (CID 12846007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).