8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]

C16H22F4O2 — CID 155401772

IUPAC8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]
SMILESCC(F)(F)C(F)(F)C1CC2CC1C1OC3(CCCCC3)OC21
InChIInChI=1S/C16H22F4O2/c1-14(17,18)16(19,20)11-8-9-7-10(11)13-12(9)21-15(22-13)5-3-2-4-6-15/h9-13H,2-8H2,1H3
InChIKeyITEUBOAZBJDQSE-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.38
Rot. Bonds2

About 8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]

8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] (PubChem CID 155401772) has the molecular formula C16H22F4O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane].

Molecular Properties

Compound Name8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]
PubChem CID155401772
Molecular FormulaC16H22F4O2
Molecular Weight322.34 g/mol
Exact Mass322.16
IUPAC Name8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]
SMILESCC(F)(F)C(F)(F)C1CC2CC1C1OC3(CCCCC3)OC21
InChIInChI=1S/C16H22F4O2/c1-14(17,18)16(19,20)11-8-9-7-10(11)13-12(9)21-15(22-13)5-3-2-4-6-15/h9-13H,2-8H2,1H3
InChIKeyITEUBOAZBJDQSE-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.38
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 8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]?
The IUPAC name of 8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] (CID 155401772) is 8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane].
What is the SMILES notation for 8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]?
The canonical SMILES for 8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] is CC(F)(F)C(F)(F)C1CC2CC1C1OC3(CCCCC3)OC21.
What is the InChIKey of 8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]?
The InChIKey is ITEUBOAZBJDQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F4O2/c1-14(17,18)16(19,20)11-8-9-7-10(11)13-12(9)21-15(22-13)5-3-2-4-6-15/h9-13H,2-8H2,1H3.
What are the key properties of 8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane]?
8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] has a molecular weight of 322.34 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1,2,2-tetrafluoropropyl)spiro[3,5-dioxatricyclo[5.2.1.02,6]decane-4,1'-cyclohexane] is sourced from PubChem (CID 155401772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).