9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane

C10H14F4O2 — CID 118908206

IUPAC9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane
SMILESFC1(F)COC2(CCCCC2)OCC1(F)F
InChIInChI=1S/C10H14F4O2/c11-9(12)6-15-8(4-2-1-3-5-8)16-7-10(9,13)14/h1-7H2
InChIKeyZMPPTRQXNVYSLG-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.96
Rot. Bonds

About 9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane

9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane (PubChem CID 118908206) has the molecular formula C10H14F4O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane.

Molecular Properties

Compound Name9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane
PubChem CID118908206
Molecular FormulaC10H14F4O2
Molecular Weight242.21 g/mol
Exact Mass242.09
IUPAC Name9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane
SMILESFC1(F)COC2(CCCCC2)OCC1(F)F
InChIInChI=1S/C10H14F4O2/c11-9(12)6-15-8(4-2-1-3-5-8)16-7-10(9,13)14/h1-7H2
InChIKeyZMPPTRQXNVYSLG-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.96
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 9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane?
The IUPAC name of 9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane (CID 118908206) is 9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane.
What is the SMILES notation for 9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane?
The canonical SMILES for 9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane is FC1(F)COC2(CCCCC2)OCC1(F)F.
What is the InChIKey of 9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane?
The InChIKey is ZMPPTRQXNVYSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O2/c11-9(12)6-15-8(4-2-1-3-5-8)16-7-10(9,13)14/h1-7H2.
What are the key properties of 9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane?
9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane has a molecular weight of 242.21 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10-tetrafluoro-7,12-dioxaspiro[5.6]dodecane is sourced from PubChem (CID 118908206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).