(2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane

C12H22FNO — CID 170385886

IUPAC(2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2C(C1COC(C)(C)C)C2(C)F
InChIInChI=1S/C12H22FNO/c1-11(2,3)15-7-9-10-8(6-14(9)5)12(10,4)13/h8-10H,6-7H2,1-5H3
InChIKeyFMMBDEJBBQJGIO-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.09
Rot. Bonds2

About (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane

(2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 170385886) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
PubChem CID170385886
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2C(C1COC(C)(C)C)C2(C)F
InChIInChI=1S/C12H22FNO/c1-11(2,3)15-7-9-10-8(6-14(9)5)12(10,4)13/h8-10H,6-7H2,1-5H3
InChIKeyFMMBDEJBBQJGIO-UHFFFAOYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane 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

(1S,3R,5S)-2-(2,2-difluoroethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[3.1.0]hexane
CID 140929478
4-Fluoro-1,4-dimethyl-2-(1-propan-2-yloxycyclopropyl)pyrrolidine
CID 156062262
(2S)-6,6-difluoro-2-(methoxymethyl)-3-methyl-3-azabicyclo[3.1.0]hexane
CID 167162281
(2S)-6,6-difluoro-3-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
CID 170389758
(1S,4R)-2-(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane
CID 171590818
(4R)-2-(2-fluoroethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[2.2.1]heptane
CID 171590851
(2S,4S)-4-(fluoromethyl)-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 172177731
(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 175612151
(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 175612199
1-Methyl-2-(propan-2-yloxymethyl)-3-(3,3,3-trifluoropropyl)pyrrolidine
CID 177126186
(1R,5S)-3-(1-fluoroethyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
CID 157236383
(1R,5S)-3-(2-fluoropropyl)-6-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
CID 157236384

Frequently Asked Questions

What is the IUPAC name of (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane (CID 170385886) is (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane is CN1CC2C(C1COC(C)(C)C)C2(C)F.
What is the InChIKey of (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is FMMBDEJBBQJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-11(2,3)15-7-9-10-8(6-14(9)5)12(10,4)13/h8-10H,6-7H2,1-5H3.
What are the key properties of (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
(2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 215.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-fluoro-3,6-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 170385886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).