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

C19H35F2NO4 — CID 147202262

IUPAC3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
SMILESCC(C)OC1CC(OCCCOCC(F)(F)COC2CN(C(C)C)C2)C1
InChIInChI=1S/C19H35F2NO4/c1-14(2)22-10-18(11-22)25-13-19(20,21)12-23-6-5-7-24-16-8-17(9-16)26-15(3)4/h14-18H,5-13H2,1-4H3
InChIKeyCDODEXPVNIXLGV-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.11
Rot. Bonds13

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

3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine (PubChem CID 147202262) has the molecular formula C19H35F2NO4 and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
PubChem CID147202262
Molecular FormulaC19H35F2NO4
Molecular Weight379.49 g/mol
Exact Mass379.25
IUPAC Name3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine
SMILESCC(C)OC1CC(OCCCOCC(F)(F)COC2CN(C(C)C)C2)C1
InChIInChI=1S/C19H35F2NO4/c1-14(2)22-10-18(11-22)25-13-19(20,21)12-23-6-5-7-24-16-8-17(9-16)26-15(3)4/h14-18H,5-13H2,1-4H3
InChIKeyCDODEXPVNIXLGV-UHFFFAOYSA-N
XLogP3.11
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
The IUPAC name of 3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine (CID 147202262) is 3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine.
What is the SMILES notation for 3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
The canonical SMILES for 3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine is CC(C)OC1CC(OCCCOCC(F)(F)COC2CN(C(C)C)C2)C1.
What is the InChIKey of 3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
The InChIKey is CDODEXPVNIXLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F2NO4/c1-14(2)22-10-18(11-22)25-13-19(20,21)12-23-6-5-7-24-16-8-17(9-16)26-15(3)4/h14-18H,5-13H2,1-4H3.
What are the key properties of 3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine?
3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine has a molecular weight of 379.49 g/mol, XLogP of 3.11, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-3-[3-(3-propan-2-yloxycyclobutyl)oxypropoxy]propoxy]-1-propan-2-ylazetidine is sourced from PubChem (CID 147202262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).