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

C15H19FO2 — CID 70833001

IUPAC8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCC1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C15H19FO2/c1-14(12-2-4-13(16)5-3-12)6-8-15(9-7-14)17-10-11-18-15/h2-5H,6-11H2,1H3
InChIKeyMJZJAMCTMHZBBZ-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.40
Rot. Bonds1

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

8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 70833001) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID70833001
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCC1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C15H19FO2/c1-14(12-2-4-13(16)5-3-12)6-8-15(9-7-14)17-10-11-18-15/h2-5H,6-11H2,1H3
InChIKeyMJZJAMCTMHZBBZ-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane (CID 70833001) is 8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane is CC1(c2ccc(F)cc2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is MJZJAMCTMHZBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-14(12-2-4-13(16)5-3-12)6-8-15(9-7-14)17-10-11-18-15/h2-5H,6-11H2,1H3.
What are the key properties of 8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane?
8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 250.31 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-8-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 70833001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).