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

C19H39F2NO3 — CID 142390997

IUPAC3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
SMILESCC.CC.CC1CC(OCC(F)(F)COCCCOC2CN(C)C2)C1
InChIInChI=1S/C15H27F2NO3.2C2H6/c1-12-6-13(7-12)21-11-15(16,17)10-19-4-3-5-20-14-8-18(2)9-14;2*1-2/h12-14H,3-11H2,1-2H3;2*1-2H3
InChIKeyNFLZSPBIGNXZPO-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.23
Rot. Bonds10

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

3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane (PubChem CID 142390997) has the molecular formula C19H39F2NO3 and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane.

Molecular Properties

Compound Name3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
PubChem CID142390997
Molecular FormulaC19H39F2NO3
Molecular Weight367.52 g/mol
Exact Mass367.29
IUPAC Name3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
SMILESCC.CC.CC1CC(OCC(F)(F)COCCCOC2CN(C)C2)C1
InChIInChI=1S/C15H27F2NO3.2C2H6/c1-12-6-13(7-12)21-11-15(16,17)10-19-4-3-5-20-14-8-18(2)9-14;2*1-2/h12-14H,3-11H2,1-2H3;2*1-2H3
InChIKeyNFLZSPBIGNXZPO-UHFFFAOYSA-N
XLogP4.23
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.23
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

1-Tert-butyl-3-[2,2-difluoro-3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propoxy]azetidine
CID 134488936
3-[3-[2,2-Difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
CID 134579479
3-[3-[2,2-Difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine
CID 134581772
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-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
CID 146183918
1-Tert-butyl-3-[3-[2,2-difluoro-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propoxy]azetidine
CID 146605947
1-Tert-butyl-3-[3-[3-[3-(2,2-dimethylpropoxy)cyclobutyl]oxypropoxy]-2,2-difluoropropoxy]azetidine
CID 146605948

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane?
The IUPAC name of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane (CID 142390997) is 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane.
What is the SMILES notation for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane?
The canonical SMILES for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane is CC.CC.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;ethane?
The InChIKey is NFLZSPBIGNXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO3.2C2H6/c1-12-6-13(7-12)21-11-15(16,17)10-19-4-3-5-20-14-8-18(2)9-14;2*1-2/h12-14H,3-11H2,1-2H3;2*1-2H3.
What are the key properties of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane?
3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane has a molecular weight of 367.52 g/mol, XLogP of 4.23, 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;ethane is sourced from PubChem (CID 142390997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).