2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane

C9H10F8O4 — CID 14401463

IUPAC2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane
SMILESCOC(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)OC)OCCO1
InChIInChI=1S/C9H10F8O4/c1-18-8(14,15)5(10,11)7(20-3-4-21-7)6(12,13)9(16,17)19-2/h3-4H2,1-2H3
InChIKeyCYTQPMMIYMPRRP-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.48
Rot. Bonds6

About 2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane

2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane (PubChem CID 14401463) has the molecular formula C9H10F8O4 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane
PubChem CID14401463
Molecular FormulaC9H10F8O4
Molecular Weight334.16 g/mol
Exact Mass334.05
IUPAC Name2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane
SMILESCOC(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)OC)OCCO1
InChIInChI=1S/C9H10F8O4/c1-18-8(14,15)5(10,11)7(20-3-4-21-7)6(12,13)9(16,17)19-2/h3-4H2,1-2H3
InChIKeyCYTQPMMIYMPRRP-UHFFFAOYSA-N
XLogP2.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane?
The IUPAC name of 2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane (CID 14401463) is 2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane is COC(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)OC)OCCO1.
What is the InChIKey of 2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane?
The InChIKey is CYTQPMMIYMPRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O4/c1-18-8(14,15)5(10,11)7(20-3-4-21-7)6(12,13)9(16,17)19-2/h3-4H2,1-2H3.
What are the key properties of 2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane?
2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane has a molecular weight of 334.16 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1,1,2,2-tetrafluoro-2-methoxyethyl)-1,3-dioxolane is sourced from PubChem (CID 14401463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).