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

C8H13FO2 — CID 56605200

IUPAC8-fluoro-1,4-dioxaspiro[4.5]decane
SMILESFC1CCC2(CC1)OCCO2
InChIInChI=1S/C8H13FO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7H,1-6H2
InChIKeyIOCVANJGBPOMFG-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.64
Rot. Bonds

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

8-fluoro-1,4-dioxaspiro[4.5]decane (PubChem CID 56605200) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 8-fluoro-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-fluoro-1,4-dioxaspiro[4.5]decane
PubChem CID56605200
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name8-fluoro-1,4-dioxaspiro[4.5]decane
SMILESFC1CCC2(CC1)OCCO2
InChIInChI=1S/C8H13FO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7H,1-6H2
InChIKeyIOCVANJGBPOMFG-UHFFFAOYSA-N
XLogP1.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-fluoro-1,4-dioxaspiro[4.5]decane (CID 56605200) is 8-fluoro-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-fluoro-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-fluoro-1,4-dioxaspiro[4.5]decane is FC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-fluoro-1,4-dioxaspiro[4.5]decane?
The InChIKey is IOCVANJGBPOMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7H,1-6H2.
What are the key properties of 8-fluoro-1,4-dioxaspiro[4.5]decane?
8-fluoro-1,4-dioxaspiro[4.5]decane has a molecular weight of 160.19 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 56605200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).