2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

C10H16F2N2O2 — CID 97372327

IUPAC2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESO=C(C(F)F)N1CCO[C@@]2(CCCNC2)C1
InChIInChI=1S/C10H16F2N2O2/c11-8(12)9(15)14-4-5-16-10(7-14)2-1-3-13-6-10/h8,13H,1-7H2/t10-/m1/s1
InChIKeyYBWSPXWCFNHVKF-SNVBAGLBSA-N
MW234.25 g/mol
LogP0.23
Rot. Bonds1

About 2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone

2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (PubChem CID 97372327) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
PubChem CID97372327
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
SMILESO=C(C(F)F)N1CCO[C@@]2(CCCNC2)C1
InChIInChI=1S/C10H16F2N2O2/c11-8(12)9(15)14-4-5-16-10(7-14)2-1-3-13-6-10/h8,13H,1-7H2/t10-/m1/s1
InChIKeyYBWSPXWCFNHVKF-SNVBAGLBSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone (CID 97372327) is 2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is O=C(C(F)F)N1CCO[C@@]2(CCCNC2)C1.
What is the InChIKey of 2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
The InChIKey is YBWSPXWCFNHVKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-8(12)9(15)14-4-5-16-10(7-14)2-1-3-13-6-10/h8,13H,1-7H2/t10-/m1/s1.
What are the key properties of 2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone?
2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone has a molecular weight of 234.25 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[(6R)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone is sourced from PubChem (CID 97372327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).