9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C16H20FNO2 — CID 56874382

IUPAC9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CCCO2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C16H20FNO2/c17-14-4-2-13(3-5-14)12-18-10-9-16(7-1-11-20-16)8-6-15(18)19/h2-5H,1,6-12H2
InChIKeyQVNPOGFQRDWTST-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.89
Rot. Bonds2

About 9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 56874382) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID56874382
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CCCO2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C16H20FNO2/c17-14-4-2-13(3-5-14)12-18-10-9-16(7-1-11-20-16)8-6-15(18)19/h2-5H,1,6-12H2
InChIKeyQVNPOGFQRDWTST-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 56874382) is 9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is O=C1CCC2(CCCO2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is QVNPOGFQRDWTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14-4-2-13(3-5-14)12-18-10-9-16(7-1-11-20-16)8-6-15(18)19/h2-5H,1,6-12H2.
What are the key properties of 9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 277.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 56874382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).