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

C13H24F2N2O — CID 155316710

IUPAC1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine
SMILESCC(COC1CN(C(C)(C)C)C1)N1CC(F)(F)C1
InChIInChI=1S/C13H24F2N2O/c1-10(16-8-13(14,15)9-16)7-18-11-5-17(6-11)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyNZTBGXXNPHRCEX-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.83
Rot. Bonds4

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

1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine (PubChem CID 155316710) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine
PubChem CID155316710
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine
SMILESCC(COC1CN(C(C)(C)C)C1)N1CC(F)(F)C1
InChIInChI=1S/C13H24F2N2O/c1-10(16-8-13(14,15)9-16)7-18-11-5-17(6-11)12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyNZTBGXXNPHRCEX-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine?
The IUPAC name of 1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine (CID 155316710) is 1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine.
What is the SMILES notation for 1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine?
The canonical SMILES for 1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine is CC(COC1CN(C(C)(C)C)C1)N1CC(F)(F)C1.
What is the InChIKey of 1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine?
The InChIKey is NZTBGXXNPHRCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-10(16-8-13(14,15)9-16)7-18-11-5-17(6-11)12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine?
1-[1-(1-tert-butylazetidin-3-yl)oxypropan-2-yl]-3,3-difluoroazetidine has a molecular weight of 262.34 g/mol, XLogP of 1.83, 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)oxypropan-2-yl]-3,3-difluoroazetidine is sourced from PubChem (CID 155316710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).