7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one

C14H15FO3 — CID 66859400

IUPAC7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1c1ccc(F)cc1)OCCO2
InChIInChI=1S/C14H15FO3/c15-11-3-1-10(2-4-11)12-9-14(6-5-13(12)16)17-7-8-18-14/h1-4,12H,5-9H2
InChIKeyDENZZUHKZJZSQI-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.41
Rot. Bonds1

About 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one

7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 66859400) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID66859400
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CC1c1ccc(F)cc1)OCCO2
InChIInChI=1S/C14H15FO3/c15-11-3-1-10(2-4-11)12-9-14(6-5-13(12)16)17-7-8-18-14/h1-4,12H,5-9H2
InChIKeyDENZZUHKZJZSQI-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one (CID 66859400) is 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one is O=C1CCC2(CC1c1ccc(F)cc1)OCCO2.
What is the InChIKey of 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is DENZZUHKZJZSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c15-11-3-1-10(2-4-11)12-9-14(6-5-13(12)16)17-7-8-18-14/h1-4,12H,5-9H2.
What are the key properties of 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one?
7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 250.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 66859400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).