1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine

C20H38F2N2O3 — CID 134582276

IUPAC1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine
SMILESCC(C)(C)N1CC(OCCCOCC(F)(F)COC2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C20H38F2N2O3/c1-18(2,3)23-10-16(11-23)26-9-7-8-25-14-20(21,22)15-27-17-12-24(13-17)19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyRLBFAODYEYCHRZ-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.03
Rot. Bonds10

About 1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine

1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine (PubChem CID 134582276) has the molecular formula C20H38F2N2O3 and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine
PubChem CID134582276
Molecular FormulaC20H38F2N2O3
Molecular Weight392.53 g/mol
Exact Mass392.29
IUPAC Name1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine
SMILESCC(C)(C)N1CC(OCCCOCC(F)(F)COC2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C20H38F2N2O3/c1-18(2,3)23-10-16(11-23)26-9-7-8-25-14-20(21,22)15-27-17-12-24(13-17)19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyRLBFAODYEYCHRZ-UHFFFAOYSA-N
XLogP3.03
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.03
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-[1-(1-Tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine
CID 126547341
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-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]azetidine
CID 135175119
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
1-[1-(1-Tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine
CID 155316710
3,3-Difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;3-methoxy-1-propan-2-ylazetidine;3-propan-2-yloxetane
CID 160400449
1-Tert-butyl-3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]azetidine
CID 166041680
1-Tert-butyl-3-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]azetidine
CID 167292326

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine?
The IUPAC name of 1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine (CID 134582276) is 1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine.
What is the SMILES notation for 1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine?
The canonical SMILES for 1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine is CC(C)(C)N1CC(OCCCOCC(F)(F)COC2CN(C(C)(C)C)C2)C1.
What is the InChIKey of 1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine?
The InChIKey is RLBFAODYEYCHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38F2N2O3/c1-18(2,3)23-10-16(11-23)26-9-7-8-25-14-20(21,22)15-27-17-12-24(13-17)19(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine?
1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine has a molecular weight of 392.53 g/mol, XLogP of 3.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine is sourced from PubChem (CID 134582276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).