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

C9H15FO2 — CID 130067773

IUPAC8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCC1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C9H15FO2/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h2-7H2,1H3
InChIKeyYCQVUFGCHXJNHH-UHFFFAOYSA-N
MW174.21 g/mol
LogP2.03
Rot. Bonds

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

8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 130067773) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is 8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID130067773
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCC1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C9H15FO2/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h2-7H2,1H3
InChIKeyYCQVUFGCHXJNHH-UHFFFAOYSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane (CID 130067773) is 8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane is CC1(F)CCC2(CC1)OCCO2.
What is the InChIKey of 8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is YCQVUFGCHXJNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h2-7H2,1H3.
What are the key properties of 8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane?
8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 174.21 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 130067773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).