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

Analyze 8,8-difluoro-1,4-dioxaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dioxaspiro(4.5)decane
CID 9093
6-Fluoro-1,4-dioxaspiro[4.5]decane
CID 13215123
1,1-Bis(2,2,2-trifluoroethoxy)cyclohexane
CID 18927547
2-Cyclohexyloxy-2-(trifluoromethyl)oxirane
CID 134928456
(6S)-6-fluoro-1,4-dioxaspiro[4.5]decane
CID 15939463
2,4-Difluoro-4-(1,1,2,2-tetrafluorobutyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 23534653
8-Fluoro-1,4-dioxaspiro[4.5]decane
CID 56605200
2-Fluoro-4-methyl-5-propyl-2-(trifluoromethyl)-1,3-dioxolane
CID 57583082
2-(2,2,3,3,4,4,5,5-Octafluoropentyl)-1,3-dioxolane
CID 57793585
3,3-Diethyl-8,8-difluoro-1,4-dioxaspiro[4.5]decane
CID 57969475
4-Methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 58752948
1,4-Dioxaspiro[4.5]decane, 8-(trifluoromethoxy)-
CID 59565503

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).