8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane

C9H14F2O2 — CID 164674620

IUPAC8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane
SMILESFC(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C9H14F2O2/c10-8(11)7-1-3-9(4-2-7)12-5-6-13-9/h7-8H,1-6H2
InChIKeyHRZNOBBHEMHJIG-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.18
Rot. Bonds1

About 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane

8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 164674620) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID164674620
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane
SMILESFC(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C9H14F2O2/c10-8(11)7-1-3-9(4-2-7)12-5-6-13-9/h7-8H,1-6H2
InChIKeyHRZNOBBHEMHJIG-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methyl-1,4-dioxaspiro[4.5]decane
CID 10953772
2,3,8-Trimethyl-1,4-dioxaspiro[4.5]decane
CID 221908
4-[Cyclohexyl(difluoro)methyl]-1,3-dioxolan-2-one
CID 101432696
8-Ethynyl-8-fluoro-1,4-dioxaspiro[4.5]decane
CID 138982908
4-[[Cyclohexyl(difluoro)methoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 176426585
8-Ethyl-1,4-dioxaspiro[4.5]decane
CID 21016596
8-(1,2,2-Trifluoroethyl)-1,4-dioxaspiro[4.5]decane
CID 21252704
8-(4,4,4-Trifluorobutyl)-1,4-dioxaspiro[4.5]decane
CID 53252711
(8S)-7-fluoro-8-propyl-1,4-dioxaspiro[4.5]decane
CID 54046014
7,9-Difluoro-8-propyl-1,4-dioxaspiro[4.5]decane
CID 54213035
8-((2,2-Difluoroethoxy)methyl)-1,4-d ioxaspiro[4.5]decane
CID 57949040
8-((2-Fluoroethoxy)methyl)-1,4-dioxaspiro[4.5]decane
CID 57949061

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane (CID 164674620) is 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane is FC(F)C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is HRZNOBBHEMHJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c10-8(11)7-1-3-9(4-2-7)12-5-6-13-9/h7-8H,1-6H2.
What are the key properties of 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane?
8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 192.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 164674620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).