3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine

C15H27F2NO3 — CID 134581772

IUPAC3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine
SMILESCC1CC(OCC(F)(F)COCCCOC2CN(C)C2)C1
InChIInChI=1S/C15H27F2NO3/c1-12-6-13(7-12)21-11-15(16,17)10-19-4-3-5-20-14-8-18(2)9-14/h12-14H,3-11H2,1-2H3
InChIKeyYDWKSOHHZICKBQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.17
Rot. Bonds10

About 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine

3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine (PubChem CID 134581772) has the molecular formula C15H27F2NO3 and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine.

Molecular Properties

Compound Name3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine
PubChem CID134581772
Molecular FormulaC15H27F2NO3
Molecular Weight307.38 g/mol
Exact Mass307.20
IUPAC Name3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine
SMILESCC1CC(OCC(F)(F)COCCCOC2CN(C)C2)C1
InChIInChI=1S/C15H27F2NO3/c1-12-6-13(7-12)21-11-15(16,17)10-19-4-3-5-20-14-8-18(2)9-14/h12-14H,3-11H2,1-2H3
InChIKeyYDWKSOHHZICKBQ-UHFFFAOYSA-N
XLogP2.17
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.17
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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Related Compounds

3-[3-[2,2-Difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
CID 134579479
3-[2,2-Difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine
CID 135173449
1-Tert-butyl-3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]azetidine
CID 135175119
3-[3-[2,2-Difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
CID 142365193
3-[2,2-Difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
CID 142365639
3-[3-[2,2-Difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane
CID 142386103
Ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine
CID 142386398
3-[3-[2,2-Difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
CID 142390997
3-[3-[2,2-Difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
CID 153544451
3-[2,2-Difluoro-3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propoxy]-1-methylazetidine
CID 166662786
3-(3,3-Difluorocyclobutyl)oxy-1-methylazetidine
CID 166744017
3-[3-(3-Cyclobutyloxy-2,2-difluoropropoxy)propoxy]-1-methylazetidine
CID 170976400

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine?
The IUPAC name of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine (CID 134581772) is 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine.
What is the SMILES notation for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine?
The canonical SMILES for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine is CC1CC(OCC(F)(F)COCCCOC2CN(C)C2)C1.
What is the InChIKey of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine?
The InChIKey is YDWKSOHHZICKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO3/c1-12-6-13(7-12)21-11-15(16,17)10-19-4-3-5-20-14-8-18(2)9-14/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine?
3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine has a molecular weight of 307.38 g/mol, XLogP of 2.17, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine is sourced from PubChem (CID 134581772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).