3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one

C15H18FNO2 — CID 58044728

IUPAC3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CC1Cc1ccc(F)cc1
InChIInChI=1S/C15H18FNO2/c16-13-3-1-11(2-4-13)9-12-10-15(19-14(12)18)5-7-17-8-6-15/h1-4,12,17H,5-10H2
InChIKeyUWMLIFGIRMZIFH-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.05
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one

3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one (PubChem CID 58044728) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one
PubChem CID58044728
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CC1Cc1ccc(F)cc1
InChIInChI=1S/C15H18FNO2/c16-13-3-1-11(2-4-13)9-12-10-15(19-14(12)18)5-7-17-8-6-15/h1-4,12,17H,5-10H2
InChIKeyUWMLIFGIRMZIFH-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one (CID 58044728) is 3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)CC1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is UWMLIFGIRMZIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-3-1-11(2-4-13)9-12-10-15(19-14(12)18)5-7-17-8-6-15/h1-4,12,17H,5-10H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one?
3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 263.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 58044728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).