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

C7H13ClF3NO — CID 146273102

IUPAC3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride
SMILESCC(C)(OC1CNC1)C(F)(F)F.Cl
InChIInChI=1S/C7H12F3NO.ClH/c1-6(2,7(8,9)10)12-5-3-11-4-5;/h5,11H,3-4H2,1-2H3;1H
InChIKeyISYCEQVTDCGCRB-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.74
Rot. Bonds2

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

3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride (PubChem CID 146273102) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride
PubChem CID146273102
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride
SMILESCC(C)(OC1CNC1)C(F)(F)F.Cl
InChIInChI=1S/C7H12F3NO.ClH/c1-6(2,7(8,9)10)12-5-3-11-4-5;/h5,11H,3-4H2,1-2H3;1H
InChIKeyISYCEQVTDCGCRB-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.74
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;hydrochloride?
The IUPAC name of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride (CID 146273102) is 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride.
What is the SMILES notation for 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride?
The canonical SMILES for 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride is CC(C)(OC1CNC1)C(F)(F)F.Cl.
What is the InChIKey of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride?
The InChIKey is ISYCEQVTDCGCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c1-6(2,7(8,9)10)12-5-3-11-4-5;/h5,11H,3-4H2,1-2H3;1H.
What are the key properties of 3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride?
3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyazetidine;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 1.74, 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;hydrochloride is sourced from PubChem (CID 146273102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).