9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane

C17H23F2NO2 — CID 110156323

IUPAC9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCOC1CCCOC12CCN(Cc1cccc(F)c1F)CC2
InChIInChI=1S/C17H23F2NO2/c1-21-15-6-3-11-22-17(15)7-9-20(10-8-17)12-13-4-2-5-14(18)16(13)19/h2,4-5,15H,3,6-12H2,1H3
InChIKeyGAENWVHYRBCMOH-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.12
Rot. Bonds3

About 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane

9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 110156323) has the molecular formula C17H23F2NO2 and a molecular weight of 311.37 g/mol. Its IUPAC name is 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
PubChem CID110156323
Molecular FormulaC17H23F2NO2
Molecular Weight311.37 g/mol
Exact Mass311.17
IUPAC Name9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCOC1CCCOC12CCN(Cc1cccc(F)c1F)CC2
InChIInChI=1S/C17H23F2NO2/c1-21-15-6-3-11-22-17(15)7-9-20(10-8-17)12-13-4-2-5-14(18)16(13)19/h2,4-5,15H,3,6-12H2,1H3
InChIKeyGAENWVHYRBCMOH-UHFFFAOYSA-N
XLogP3.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-9-[(2-ethoxyphenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 124980177
[1-(2-fluorophenyl)cyclopropyl]-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124959803
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
N-[9-[(2,3-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 133139945
(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124967902
(5S)-9-[(2,6-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 125011061
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386
3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 110159674
4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 51086748
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818

Frequently Asked Questions

What is the IUPAC name of 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane (CID 110156323) is 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane is COC1CCCOC12CCN(Cc1cccc(F)c1F)CC2.
What is the InChIKey of 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is GAENWVHYRBCMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO2/c1-21-15-6-3-11-22-17(15)7-9-20(10-8-17)12-13-4-2-5-14(18)16(13)19/h2,4-5,15H,3,6-12H2,1H3.
What are the key properties of 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane?
9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 311.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,3-difluorophenyl)methyl]-5-methoxy-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 110156323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).