3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C9H14F2N2O2 — CID 172556446

IUPAC3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1CC(F)F
InChIInChI=1S/C9H14F2N2O2/c10-7(11)5-13-6-9(15-8(13)14)1-3-12-4-2-9/h7,12H,1-6H2
InChIKeyFUKAIRAOKQTJGP-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.83
Rot. Bonds2

About 3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 172556446) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID172556446
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1CC(F)F
InChIInChI=1S/C9H14F2N2O2/c10-7(11)5-13-6-9(15-8(13)14)1-3-12-4-2-9/h7,12H,1-6H2
InChIKeyFUKAIRAOKQTJGP-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 172556446) is 3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)CN1CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FUKAIRAOKQTJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c10-7(11)5-13-6-9(15-8(13)14)1-3-12-4-2-9/h7,12H,1-6H2.
What are the key properties of 3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 220.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 172556446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).