12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one

C19H24F2N2O2 — CID 70824831

IUPAC12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one
SMILESO=C1NC(c2cc(F)cc(F)c2)CNC12CCC1(CCOCC1)CC2
InChIInChI=1S/C19H24F2N2O2/c20-14-9-13(10-15(21)11-14)16-12-22-19(17(24)23-16)3-1-18(2-4-19)5-7-25-8-6-18/h9-11,16,22H,1-8,12H2,(H,23,24)
InChIKeyTXSKCCOLAPEBOP-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.83
Rot. Bonds1

About 12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one

12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one (PubChem CID 70824831) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one.

Molecular Properties

Compound Name12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one
PubChem CID70824831
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one
SMILESO=C1NC(c2cc(F)cc(F)c2)CNC12CCC1(CCOCC1)CC2
InChIInChI=1S/C19H24F2N2O2/c20-14-9-13(10-15(21)11-14)16-12-22-19(17(24)23-16)3-1-18(2-4-19)5-7-25-8-6-18/h9-11,16,22H,1-8,12H2,(H,23,24)
InChIKeyTXSKCCOLAPEBOP-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one?
The IUPAC name of 12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one (CID 70824831) is 12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one.
What is the SMILES notation for 12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one?
The canonical SMILES for 12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one is O=C1NC(c2cc(F)cc(F)c2)CNC12CCC1(CCOCC1)CC2.
What is the InChIKey of 12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one?
The InChIKey is TXSKCCOLAPEBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c20-14-9-13(10-15(21)11-14)16-12-22-19(17(24)23-16)3-1-18(2-4-19)5-7-25-8-6-18/h9-11,16,22H,1-8,12H2,(H,23,24).
What are the key properties of 12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one?
12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one has a molecular weight of 350.41 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3,5-difluorophenyl)-3-oxa-11,14-diazadispiro[5.2.59.26]hexadecan-10-one is sourced from PubChem (CID 70824831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).