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

C16H20FNO2 — CID 67987563

IUPAC3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)CC(Cc1ccc(F)cc1)C(=O)O2
InChIInChI=1S/C16H20FNO2/c1-18-8-6-16(7-9-18)11-13(15(19)20-16)10-12-2-4-14(17)5-3-12/h2-5,13H,6-11H2,1H3
InChIKeyVDLXJRRAUGDYSX-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.40
Rot. Bonds2

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

3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one (PubChem CID 67987563) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one
PubChem CID67987563
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)CC(Cc1ccc(F)cc1)C(=O)O2
InChIInChI=1S/C16H20FNO2/c1-18-8-6-16(7-9-18)11-13(15(19)20-16)10-12-2-4-14(17)5-3-12/h2-5,13H,6-11H2,1H3
InChIKeyVDLXJRRAUGDYSX-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one (CID 67987563) is 3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one is CN1CCC2(CC1)CC(Cc1ccc(F)cc1)C(=O)O2.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is VDLXJRRAUGDYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-18-8-6-16(7-9-18)11-13(15(19)20-16)10-12-2-4-14(17)5-3-12/h2-5,13H,6-11H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one?
3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 277.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 67987563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).