4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

C14H17FN2O2 — CID 115067460

IUPAC4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCCNC2)CN1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c15-11-2-4-12(5-3-11)17-10-14(19-8-13(17)18)6-1-7-16-9-14/h2-5,16H,1,6-10H2
InChIKeyYAFOLBDERBDLFR-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.31
Rot. Bonds1

About 4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 115067460) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID115067460
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCCNC2)CN1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c15-11-2-4-12(5-3-11)17-10-14(19-8-13(17)18)6-1-7-16-9-14/h2-5,16H,1,6-10H2
InChIKeyYAFOLBDERBDLFR-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 115067460) is 4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCCNC2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YAFOLBDERBDLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-2-4-12(5-3-11)17-10-14(19-8-13(17)18)6-1-7-16-9-14/h2-5,16H,1,6-10H2.
What are the key properties of 4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 264.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 115067460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).