4-fluoro-4-methyl-2-oxaspiro[5.5]undecane

C11H19FO — CID 122380283

IUPAC4-fluoro-4-methyl-2-oxaspiro[5.5]undecane
SMILESCC1(F)COCC2(CCCCC2)C1
InChIInChI=1S/C11H19FO/c1-10(12)7-11(9-13-8-10)5-3-2-4-6-11/h2-9H2,1H3
InChIKeyHGDICIQMXGABRX-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.09
Rot. Bonds

About 4-fluoro-4-methyl-2-oxaspiro[5.5]undecane

4-fluoro-4-methyl-2-oxaspiro[5.5]undecane (PubChem CID 122380283) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 4-fluoro-4-methyl-2-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-fluoro-4-methyl-2-oxaspiro[5.5]undecane
PubChem CID122380283
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name4-fluoro-4-methyl-2-oxaspiro[5.5]undecane
SMILESCC1(F)COCC2(CCCCC2)C1
InChIInChI=1S/C11H19FO/c1-10(12)7-11(9-13-8-10)5-3-2-4-6-11/h2-9H2,1H3
InChIKeyHGDICIQMXGABRX-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-2-oxaspiro[5.5]undecane?
The IUPAC name of 4-fluoro-4-methyl-2-oxaspiro[5.5]undecane (CID 122380283) is 4-fluoro-4-methyl-2-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-fluoro-4-methyl-2-oxaspiro[5.5]undecane?
The canonical SMILES for 4-fluoro-4-methyl-2-oxaspiro[5.5]undecane is CC1(F)COCC2(CCCCC2)C1.
What is the InChIKey of 4-fluoro-4-methyl-2-oxaspiro[5.5]undecane?
The InChIKey is HGDICIQMXGABRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-10(12)7-11(9-13-8-10)5-3-2-4-6-11/h2-9H2,1H3.
What are the key properties of 4-fluoro-4-methyl-2-oxaspiro[5.5]undecane?
4-fluoro-4-methyl-2-oxaspiro[5.5]undecane has a molecular weight of 186.27 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-2-oxaspiro[5.5]undecane is sourced from PubChem (CID 122380283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).