1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine

C14H26F2N2O — CID 126547341

IUPAC1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine
SMILESCC(C)(C)N1CC(OCC(C)(C)N2CC(F)(F)C2)C1
InChIInChI=1S/C14H26F2N2O/c1-12(2,3)17-6-11(7-17)19-10-13(4,5)18-8-14(15,16)9-18/h11H,6-10H2,1-5H3
InChIKeyMBZHXVCJUUDRDT-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.22
Rot. Bonds4

About 1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine

1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine (PubChem CID 126547341) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine
PubChem CID126547341
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC Name1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine
SMILESCC(C)(C)N1CC(OCC(C)(C)N2CC(F)(F)C2)C1
InChIInChI=1S/C14H26F2N2O/c1-12(2,3)17-6-11(7-17)19-10-13(4,5)18-8-14(15,16)9-18/h11H,6-10H2,1-5H3
InChIKeyMBZHXVCJUUDRDT-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
3-(Ethoxymethyl)-3-fluoro-1-[2-[(1-methylazetidin-3-yl)methoxy]propyl]azetidine
CID 134502385
1-Tert-butyl-3-[3-[3-(1-tert-butylazetidin-3-yl)oxy-2,2-difluoropropoxy]propoxy]azetidine
CID 134582276
1-Propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 137471188
1-Tert-butyl-3-ethoxy-3-(trifluoromethyl)azetidine
CID 137536642
1-Tert-butyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 137536748
1-Tert-butyl-3-(trifluoromethoxy)azetidine
CID 138722537
3-(Difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine
CID 140959012
1-Ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 145394987
3-Fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 146595815
1-Tert-butyl-3-(difluoromethoxy)azetidine
CID 153296309
3-[(2-Methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)azetidine
CID 153420388

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine?
The IUPAC name of 1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine (CID 126547341) is 1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine.
What is the SMILES notation for 1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine?
The canonical SMILES for 1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine is CC(C)(C)N1CC(OCC(C)(C)N2CC(F)(F)C2)C1.
What is the InChIKey of 1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine?
The InChIKey is MBZHXVCJUUDRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O/c1-12(2,3)17-6-11(7-17)19-10-13(4,5)18-8-14(15,16)9-18/h11H,6-10H2,1-5H3.
What are the key properties of 1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine?
1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine has a molecular weight of 276.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-tert-butylazetidin-3-yl)oxy-2-methylpropan-2-yl]-3,3-difluoroazetidine is sourced from PubChem (CID 126547341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).