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

C19H35F2NO3 — CID 146183918

IUPAC3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
SMILESCC(C)C1CC(OCC(F)(F)COCCCOC2CN(C(C)C)C2)C1
InChIInChI=1S/C19H35F2NO3/c1-14(2)16-8-17(9-16)25-13-19(20,21)12-23-6-5-7-24-18-10-22(11-18)15(3)4/h14-18H,5-13H2,1-4H3
InChIKeyCUIVCJAYJCOGOE-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.59
Rot. Bonds12

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

3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine (PubChem CID 146183918) has the molecular formula C19H35F2NO3 and a molecular weight of 363.49 g/mol. Its IUPAC name is 3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
PubChem CID146183918
Molecular FormulaC19H35F2NO3
Molecular Weight363.49 g/mol
Exact Mass363.26
IUPAC Name3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
SMILESCC(C)C1CC(OCC(F)(F)COCCCOC2CN(C(C)C)C2)C1
InChIInChI=1S/C19H35F2NO3/c1-14(2)16-8-17(9-16)25-13-19(20,21)12-23-6-5-7-24-18-10-22(11-18)15(3)4/h14-18H,5-13H2,1-4H3
InChIKeyCUIVCJAYJCOGOE-UHFFFAOYSA-N
XLogP3.59
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
The IUPAC name of 3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine (CID 146183918) is 3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine.
What is the SMILES notation for 3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
The canonical SMILES for 3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine is CC(C)C1CC(OCC(F)(F)COCCCOC2CN(C(C)C)C2)C1.
What is the InChIKey of 3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
The InChIKey is CUIVCJAYJCOGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F2NO3/c1-14(2)16-8-17(9-16)25-13-19(20,21)12-23-6-5-7-24-18-10-22(11-18)15(3)4/h14-18H,5-13H2,1-4H3.
What are the key properties of 3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
3-[3-[2,2-difluoro-3-(3-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine has a molecular weight of 363.49 g/mol, XLogP of 3.59, 12 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-propan-2-ylcyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine is sourced from PubChem (CID 146183918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).