8,8-difluoro-1,4-dioxaspiro[4.5]decane

C8H12F2O2 — CID 22225014

IUPAC8,8-difluoro-1,4-dioxaspiro[4.5]decane
SMILESFC1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C8H12F2O2/c9-7(10)1-3-8(4-2-7)11-5-6-12-8/h1-6H2
InChIKeyFLSBLABUGHZWBS-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.94
Rot. Bonds

About 8,8-difluoro-1,4-dioxaspiro[4.5]decane

8,8-difluoro-1,4-dioxaspiro[4.5]decane (PubChem CID 22225014) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 8,8-difluoro-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-difluoro-1,4-dioxaspiro[4.5]decane
PubChem CID22225014
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name8,8-difluoro-1,4-dioxaspiro[4.5]decane
SMILESFC1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C8H12F2O2/c9-7(10)1-3-8(4-2-7)11-5-6-12-8/h1-6H2
InChIKeyFLSBLABUGHZWBS-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8,8-difluoro-1,4-dioxaspiro[4.5]decane (CID 22225014) is 8,8-difluoro-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8,8-difluoro-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8,8-difluoro-1,4-dioxaspiro[4.5]decane is FC1(F)CCC2(CC1)OCCO2.
What is the InChIKey of 8,8-difluoro-1,4-dioxaspiro[4.5]decane?
The InChIKey is FLSBLABUGHZWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c9-7(10)1-3-8(4-2-7)11-5-6-12-8/h1-6H2.
What are the key properties of 8,8-difluoro-1,4-dioxaspiro[4.5]decane?
8,8-difluoro-1,4-dioxaspiro[4.5]decane has a molecular weight of 178.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 22225014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).