3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine

C14H25F2NO3 — CID 170976400

IUPAC3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine
SMILESCN1CC(OCCCOCC(F)(F)COC2CCC2)C1
InChIInChI=1S/C14H25F2NO3/c1-17-8-13(9-17)19-7-3-6-18-10-14(15,16)11-20-12-4-2-5-12/h12-13H,2-11H2,1H3
InChIKeySPOQTVZOBPZZIX-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.93
Rot. Bonds10

About 3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine

3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine (PubChem CID 170976400) has the molecular formula C14H25F2NO3 and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine.

Molecular Properties

Compound Name3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine
PubChem CID170976400
Molecular FormulaC14H25F2NO3
Molecular Weight293.35 g/mol
Exact Mass293.18
IUPAC Name3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine
SMILESCN1CC(OCCCOCC(F)(F)COC2CCC2)C1
InChIInChI=1S/C14H25F2NO3/c1-17-8-13(9-17)19-7-3-6-18-10-14(15,16)11-20-12-4-2-5-12/h12-13H,2-11H2,1H3
InChIKeySPOQTVZOBPZZIX-UHFFFAOYSA-N
XLogP1.93
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine?
The IUPAC name of 3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine (CID 170976400) is 3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine.
What is the SMILES notation for 3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine?
The canonical SMILES for 3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine is CN1CC(OCCCOCC(F)(F)COC2CCC2)C1.
What is the InChIKey of 3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine?
The InChIKey is SPOQTVZOBPZZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO3/c1-17-8-13(9-17)19-7-3-6-18-10-14(15,16)11-20-12-4-2-5-12/h12-13H,2-11H2,1H3.
What are the key properties of 3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine?
3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine has a molecular weight of 293.35 g/mol, XLogP of 1.93, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine is sourced from PubChem (CID 170976400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).