7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane

C8H11F3O2 — CID 162568023

IUPAC7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane
SMILESFC1CC2(CCC1(F)F)OCCO2
InChIInChI=1S/C8H11F3O2/c9-6-5-7(12-3-4-13-7)1-2-8(6,10)11/h6H,1-5H2
InChIKeyKIZAVODSDWANOA-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.89
Rot. Bonds

About 7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane

7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane (PubChem CID 162568023) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane
PubChem CID162568023
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane
SMILESFC1CC2(CCC1(F)F)OCCO2
InChIInChI=1S/C8H11F3O2/c9-6-5-7(12-3-4-13-7)1-2-8(6,10)11/h6H,1-5H2
InChIKeyKIZAVODSDWANOA-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane (CID 162568023) is 7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane is FC1CC2(CCC1(F)F)OCCO2.
What is the InChIKey of 7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane?
The InChIKey is KIZAVODSDWANOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-6-5-7(12-3-4-13-7)1-2-8(6,10)11/h6H,1-5H2.
What are the key properties of 7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane?
7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane has a molecular weight of 196.17 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,8-trifluoro-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 162568023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).