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

C17H31F2NO3 — CID 134579479

IUPAC3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
SMILESCC1CC(OCC(F)(F)COCCCOC2CN(C(C)C)C2)C1
InChIInChI=1S/C17H31F2NO3/c1-13(2)20-9-16(10-20)22-6-4-5-21-11-17(18,19)12-23-15-7-14(3)8-15/h13-16H,4-12H2,1-3H3
InChIKeyFGGZRTSHDUJVSC-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.95
Rot. Bonds11

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

3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine (PubChem CID 134579479) has the molecular formula C17H31F2NO3 and a molecular weight of 335.44 g/mol. Its IUPAC name is 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
PubChem CID134579479
Molecular FormulaC17H31F2NO3
Molecular Weight335.44 g/mol
Exact Mass335.23
IUPAC Name3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
SMILESCC1CC(OCC(F)(F)COCCCOC2CN(C(C)C)C2)C1
InChIInChI=1S/C17H31F2NO3/c1-13(2)20-9-16(10-20)22-6-4-5-21-11-17(18,19)12-23-15-7-14(3)8-15/h13-16H,4-12H2,1-3H3
InChIKeyFGGZRTSHDUJVSC-UHFFFAOYSA-N
XLogP2.95
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-[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
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
3-[2,2-Difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
CID 147202262

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
The IUPAC name of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine (CID 134579479) is 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine.
What is the SMILES notation for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
The canonical SMILES for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine is CC1CC(OCC(F)(F)COCCCOC2CN(C(C)C)C2)C1.
What is the InChIKey of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
The InChIKey is FGGZRTSHDUJVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F2NO3/c1-13(2)20-9-16(10-20)22-6-4-5-21-11-17(18,19)12-23-15-7-14(3)8-15/h13-16H,4-12H2,1-3H3.
What are the key properties of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine has a molecular weight of 335.44 g/mol, XLogP of 2.95, 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-propan-2-ylazetidine is sourced from PubChem (CID 134579479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).