3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine

C7H12F3NO — CID 146273103

IUPAC3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine
SMILESCC(C)(OC1CNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(2,7(8,9)10)12-5-3-11-4-5/h5,11H,3-4H2,1-2H3
InChIKeyAJIJCUIUIMVLCX-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds2

About 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine

3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine (PubChem CID 146273103) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine.

Molecular Properties

Compound Name3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine
PubChem CID146273103
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine
SMILESCC(C)(OC1CNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(2,7(8,9)10)12-5-3-11-4-5/h5,11H,3-4H2,1-2H3
InChIKeyAJIJCUIUIMVLCX-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine?
The IUPAC name of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine (CID 146273103) is 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine.
What is the SMILES notation for 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine?
The canonical SMILES for 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine is CC(C)(OC1CNC1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine?
The InChIKey is AJIJCUIUIMVLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(2,7(8,9)10)12-5-3-11-4-5/h5,11H,3-4H2,1-2H3.
What are the key properties of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine?
3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine is sourced from PubChem (CID 146273103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).