9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C9H17FN2O — CID 166686001

IUPAC9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCN(F)CC2)C1
InChIInChI=1S/C9H17FN2O/c1-11-6-7-13-9(8-11)2-4-12(10)5-3-9/h2-8H2,1H3
InChIKeyRHKORPCEGSLJFX-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.67
Rot. Bonds

About 9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 166686001) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID166686001
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCN(F)CC2)C1
InChIInChI=1S/C9H17FN2O/c1-11-6-7-13-9(8-11)2-4-12(10)5-3-9/h2-8H2,1H3
InChIKeyRHKORPCEGSLJFX-UHFFFAOYSA-N
XLogP0.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 21703959
9-Methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 35753732
4-[[1-(2-Methylpropyl)piperidin-4-yl]methyl]morpholine
CID 47053722
4-Fluoro-4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 129134141
3-Fluoro-4-methoxy-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine
CID 156187214
3-Fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine
CID 165372732
3-Fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 174351179
4-[2-(1,1-Dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium
CID 3048056
4-[[1-(2,2-Difluoroethyl)piperidin-4-yl]methyl]-2,6-dimethylmorpholine
CID 60305399
2,6-Dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine
CID 71861447
(2R,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine
CID 97092861
(2S,6S)-2,6-dimethyl-4-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine
CID 97092862

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 166686001) is 9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is CN1CCOC2(CCN(F)CC2)C1.
What is the InChIKey of 9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is RHKORPCEGSLJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-11-6-7-13-9(8-11)2-4-12(10)5-3-9/h2-8H2,1H3.
What are the key properties of 9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 188.25 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 166686001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).