4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C11H16F2N2O2 — CID 90021666

IUPAC4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2(F)F)CN1C1CC1
InChIInChI=1S/C11H16F2N2O2/c12-11(13)6-14-4-3-10(11)7-15(8-1-2-8)9(16)5-17-10/h8,14H,1-7H2
InChIKeyFZMRVSPEZBEFBL-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.38
Rot. Bonds1

About 4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 90021666) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID90021666
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2(F)F)CN1C1CC1
InChIInChI=1S/C11H16F2N2O2/c12-11(13)6-14-4-3-10(11)7-15(8-1-2-8)9(16)5-17-10/h8,14H,1-7H2
InChIKeyFZMRVSPEZBEFBL-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US11649248, Example 59
CID 156290271
5-[(4,4-Difluoropiperidin-1-yl)methyl]morpholin-3-one
CID 25054156
2,2,2-Trifluoro-1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone
CID 57989026
4-(Trifluoromethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783899
2,2-Difluoro-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-1-one
CID 68249506
4-Cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 90014659
(6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 90014661
(11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 90015108
4-Cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 90023546
(2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 139510226
(2R,6S,11R)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 139518592
(2R,6S,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 139518605

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 90021666) is 4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCNCC2(F)F)CN1C1CC1.
What is the InChIKey of 4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FZMRVSPEZBEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c12-11(13)6-14-4-3-10(11)7-15(8-1-2-8)9(16)5-17-10/h8,14H,1-7H2.
What are the key properties of 4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 246.26 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 90021666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).