ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine

C18H35F2NO4 — CID 142386398

IUPACethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine
SMILESCC.CCOC1CC(OCCCOCC(F)(F)COC2CN(C)C2)C1
InChIInChI=1S/C16H29F2NO4.C2H6/c1-3-21-13-7-14(8-13)22-6-4-5-20-11-16(17,18)12-23-15-9-19(2)10-15;1-2/h13-15H,3-12H2,1-2H3;1-2H3
InChIKeyBWEUJOAFYVVHFP-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.97
Rot. Bonds12

About ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine

ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine (PubChem CID 142386398) has the molecular formula C18H35F2NO4 and a molecular weight of 367.48 g/mol. Its IUPAC name is ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine.

Molecular Properties

Compound Nameethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine
PubChem CID142386398
Molecular FormulaC18H35F2NO4
Molecular Weight367.48 g/mol
Exact Mass367.25
IUPAC Nameethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine
SMILESCC.CCOC1CC(OCCCOCC(F)(F)COC2CN(C)C2)C1
InChIInChI=1S/C16H29F2NO4.C2H6/c1-3-21-13-7-14(8-13)22-6-4-5-20-11-16(17,18)12-23-15-9-19(2)10-15;1-2/h13-15H,3-12H2,1-2H3;1-2H3
InChIKeyBWEUJOAFYVVHFP-UHFFFAOYSA-N
XLogP2.97
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[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
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
2-[[2,2-Difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]methyl]-1-propan-2-ylazetidine
CID 139571984
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
3-[3-[2,2-Difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
CID 142390997
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 ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine?
The IUPAC name of ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine (CID 142386398) is ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine.
What is the SMILES notation for ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine?
The canonical SMILES for ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine is CC.CCOC1CC(OCCCOCC(F)(F)COC2CN(C)C2)C1.
What is the InChIKey of ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine?
The InChIKey is BWEUJOAFYVVHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO4.C2H6/c1-3-21-13-7-14(8-13)22-6-4-5-20-11-16(17,18)12-23-15-9-19(2)10-15;1-2/h13-15H,3-12H2,1-2H3;1-2H3.
What are the key properties of ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine?
ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine has a molecular weight of 367.48 g/mol, XLogP of 2.97, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-[3-(3-ethoxycyclobutyl)oxypropoxy]-2,2-difluoropropoxy]-1-methylazetidine is sourced from PubChem (CID 142386398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).