3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine

C14H27FN2O2 — CID 134502385

IUPAC3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine
SMILESCCOCC1(F)CN(CC(C)OCC2CN(C)C2)C1
InChIInChI=1S/C14H27FN2O2/c1-4-18-11-14(15)9-17(10-14)5-12(2)19-8-13-6-16(3)7-13/h12-13H,4-11H2,1-3H3
InChIKeyMDVAZONEPSSELK-UHFFFAOYSA-N
MW274.38 g/mol
LogP1.01
Rot. Bonds8

About 3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine

3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine (PubChem CID 134502385) has the molecular formula C14H27FN2O2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine
PubChem CID134502385
Molecular FormulaC14H27FN2O2
Molecular Weight274.38 g/mol
Exact Mass274.21
IUPAC Name3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine
SMILESCCOCC1(F)CN(CC(C)OCC2CN(C)C2)C1
InChIInChI=1S/C14H27FN2O2/c1-4-18-11-14(15)9-17(10-14)5-12(2)19-8-13-6-16(3)7-13/h12-13H,4-11H2,1-3H3
InChIKeyMDVAZONEPSSELK-UHFFFAOYSA-N
XLogP1.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 123717229
1-[1-(1-Tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine
CID 126547341
3-Fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 146595816
3,3-Difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine
CID 155460827
3-(1-Fluoroethoxy)-1-(2-methylpropyl)azetidine
CID 161964194
3-Fluoro-1-[1-(1-propan-2-ylazetidin-3-yl)oxypropan-2-yl]azetidine
CID 169637956
3-Methoxy-1-[(1-methylazetidin-3-yl)methyl]azetidine
CID 123325413
1-(2,2-Dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine
CID 135165016
6-(2-Ethoxyethyl)-2-(2-propan-2-yloxyethyl)-2,6-diazaspiro[3.3]heptane
CID 142368833
1-Tert-butyl-3-(1-tert-butylazetidin-3-yl)oxyazetidine
CID 142769040
6-(2-Propan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane
CID 154661299
6-(2-Butan-2-yloxyethyl)-2-oxa-6-azaspiro[3.3]heptane
CID 155459534

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine?
The IUPAC name of 3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine (CID 134502385) is 3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine.
What is the SMILES notation for 3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine?
The canonical SMILES for 3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine is CCOCC1(F)CN(CC(C)OCC2CN(C)C2)C1.
What is the InChIKey of 3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine?
The InChIKey is MDVAZONEPSSELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O2/c1-4-18-11-14(15)9-17(10-14)5-12(2)19-8-13-6-16(3)7-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine?
3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine has a molecular weight of 274.38 g/mol, XLogP of 1.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine is sourced from PubChem (CID 134502385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).