3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane

C19H37F2NO3 — CID 142386103

IUPAC3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane
SMILESCCC.CCN1CC(OCCCOCC(F)(F)COC2CC(C)C2)C1
InChIInChI=1S/C16H29F2NO3.C3H8/c1-3-19-9-15(10-19)21-6-4-5-20-11-16(17,18)12-22-14-7-13(2)8-14;1-3-2/h13-15H,3-12H2,1-2H3;3H2,1-2H3
InChIKeyCBTYWCGCRGRUFB-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.98
Rot. Bonds11

About 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane

3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane (PubChem CID 142386103) has the molecular formula C19H37F2NO3 and a molecular weight of 365.51 g/mol. Its IUPAC name is 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane.

Molecular Properties

Compound Name3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane
PubChem CID142386103
Molecular FormulaC19H37F2NO3
Molecular Weight365.51 g/mol
Exact Mass365.27
IUPAC Name3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane
SMILESCCC.CCN1CC(OCCCOCC(F)(F)COC2CC(C)C2)C1
InChIInChI=1S/C16H29F2NO3.C3H8/c1-3-19-9-15(10-19)21-6-4-5-20-11-16(17,18)12-22-14-7-13(2)8-14;1-3-2/h13-15H,3-12H2,1-2H3;3H2,1-2H3
InChIKeyCBTYWCGCRGRUFB-UHFFFAOYSA-N
XLogP3.98
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.98
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
1-Tert-butyl-3-[3-[3-(3-tert-butylcyclobutyl)oxy-2,2-difluoropropoxy]propoxy]azetidine
CID 134488939
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-propan-2-ylazetidine
CID 134579480
3-[3-[2,2-Difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine
CID 134581772
1-Tert-butyl-3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]azetidine
CID 135175119
1-Tert-butyl-3-[3-[3-(3-tert-butylcyclobutyl)oxypropoxy]-2,2-difluoropropoxy]azetidine
CID 140899182
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
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-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
CID 146183918

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane?
The IUPAC name of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane (CID 142386103) is 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane.
What is the SMILES notation for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane?
The canonical SMILES for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane is CCC.CCN1CC(OCCCOCC(F)(F)COC2CC(C)C2)C1.
What is the InChIKey of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane?
The InChIKey is CBTYWCGCRGRUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO3.C3H8/c1-3-19-9-15(10-19)21-6-4-5-20-11-16(17,18)12-22-14-7-13(2)8-14;1-3-2/h13-15H,3-12H2,1-2H3;3H2,1-2H3.
What are the key properties of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane?
3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-ethylazetidine;propane has a molecular weight of 365.51 g/mol, XLogP of 3.98, 11 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-ethylazetidine;propane is sourced from PubChem (CID 142386103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).