7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane

C11H18F2O2 — CID 54213035

IUPAC7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane
SMILESCCCC1C(F)CC2(CC1F)OCCO2
InChIInChI=1S/C11H18F2O2/c1-2-3-8-9(12)6-11(7-10(8)13)14-4-5-15-11/h8-10H,2-7H2,1H3
InChIKeyPXGIRQNEYMDPDL-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.62
Rot. Bonds2

About 7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane

7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane (PubChem CID 54213035) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is 7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane
PubChem CID54213035
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane
SMILESCCCC1C(F)CC2(CC1F)OCCO2
InChIInChI=1S/C11H18F2O2/c1-2-3-8-9(12)6-11(7-10(8)13)14-4-5-15-11/h8-10H,2-7H2,1H3
InChIKeyPXGIRQNEYMDPDL-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dioxaspiro(4.5)decane-3-methanol, 8-methyl-
CID 45282
8-(Difluoromethyl)-1,4-dioxaspiro[4.5]decane
CID 164674620
8-Methyl-1,4-dioxaspiro[4.5]decane
CID 10953772
2,3,8-Trimethyl-1,4-dioxaspiro[4.5]decane
CID 221908
6-Methyl-1,4-dioxaspiro[4.5]decane
CID 291808
4-[[Cyclohexyl(difluoro)methoxy]methyl]-2,2-dimethyl-1,3-dioxolane
CID 176426585
8-Ethyl-1,4-dioxaspiro[4.5]decane
CID 21016596
2,2-Difluoro-4-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxolane
CID 17788617
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
8-((2,2-Difluoroethoxy)methyl)-1,4-d ioxaspiro[4.5]decane
CID 57949040

Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane (CID 54213035) is 7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane is CCCC1C(F)CC2(CC1F)OCCO2.
What is the InChIKey of 7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is PXGIRQNEYMDPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O2/c1-2-3-8-9(12)6-11(7-10(8)13)14-4-5-15-11/h8-10H,2-7H2,1H3.
What are the key properties of 7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane?
7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 220.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-difluoro-8-propyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 54213035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).