(2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C12H21FN2O2 — CID 139510226

IUPAC(2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1C[C@@]2(CCNC[C@@H]2F)O[C@H](C)C1=O
InChIInChI=1S/C12H21FN2O2/c1-8(2)15-7-12(17-9(3)11(15)16)4-5-14-6-10(12)13/h8-10,14H,4-7H2,1-3H3/t9-,10+,12-/m1/s1
InChIKeyNKTDVSOIXDDWAV-JFGNBEQYSA-N
MW244.31 g/mol
LogP0.71
Rot. Bonds1

About (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 139510226) has the molecular formula C12H21FN2O2 and a molecular weight of 244.31 g/mol. Its IUPAC name is (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID139510226
Molecular FormulaC12H21FN2O2
Molecular Weight244.31 g/mol
Exact Mass244.16
IUPAC Name(2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1C[C@@]2(CCNC[C@@H]2F)O[C@H](C)C1=O
InChIInChI=1S/C12H21FN2O2/c1-8(2)15-7-12(17-9(3)11(15)16)4-5-14-6-10(12)13/h8-10,14H,4-7H2,1-3H3/t9-,10+,12-/m1/s1
InChIKeyNKTDVSOIXDDWAV-JFGNBEQYSA-N
XLogP0.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Launch Full Analysis

Related Compounds

[(6R)-6-methyl-7-oxo-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-3-yl] acetate
CID 137370751
9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135374652
5-fluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-2-one
CID 171846402
(2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561089
4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129069925
(2S,6S)-4-ethyl-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070227
(3S,4S)-3,4-difluoro-4-methylpiperidine
CID 125117149
8-fluoro-6-azaspiro[2.5]octane
CID 84717106
(3S)-3,4,4-trifluoropiperidine
CID 124662369
2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one
CID 10464720
1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 121229524
3-fluoro-1-propan-2-ylpyrrolidin-2-one
CID 45088052

Frequently Asked Questions

What is the IUPAC name of (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 139510226) is (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)N1C[C@@]2(CCNC[C@@H]2F)O[C@H](C)C1=O.
What is the InChIKey of (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NKTDVSOIXDDWAV-JFGNBEQYSA-N. The full InChI is InChI=1S/C12H21FN2O2/c1-8(2)15-7-12(17-9(3)11(15)16)4-5-14-6-10(12)13/h8-10,14H,4-7H2,1-3H3/t9-,10+,12-/m1/s1.
What are the key properties of (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 244.31 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 139510226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).