4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C15H19FN2O2 — CID 115067499

IUPAC4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCNCC2)CN1c1ccccc1F
InChIInChI=1S/C15H19FN2O2/c16-12-4-1-2-5-13(12)18-11-15(20-10-14(18)19)6-3-8-17-9-7-15/h1-2,4-5,17H,3,6-11H2
InChIKeyNNTIDGIFCASPJM-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.70
Rot. Bonds1

About 4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 115067499) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID115067499
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCNCC2)CN1c1ccccc1F
InChIInChI=1S/C15H19FN2O2/c16-12-4-1-2-5-13(12)18-11-15(20-10-14(18)19)6-3-8-17-9-7-15/h1-2,4-5,17H,3,6-11H2
InChIKeyNNTIDGIFCASPJM-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 115067499) is 4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is O=C1COC2(CCCNCC2)CN1c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is NNTIDGIFCASPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-12-4-1-2-5-13(12)18-11-15(20-10-14(18)19)6-3-8-17-9-7-15/h1-2,4-5,17H,3,6-11H2.
What are the key properties of 4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 278.33 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 115067499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).