3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride

C6H11ClF3NO — CID 86775322

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride
SMILESCC(OC1CNC1)C(F)(F)F.Cl
InChIInChI=1S/C6H10F3NO.ClH/c1-4(6(7,8)9)11-5-2-10-3-5;/h4-5,10H,2-3H2,1H3;1H
InChIKeyLSVNQNZTBXEESW-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.35
Rot. Bonds2

About 3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride

3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride (PubChem CID 86775322) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride
PubChem CID86775322
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride
SMILESCC(OC1CNC1)C(F)(F)F.Cl
InChIInChI=1S/C6H10F3NO.ClH/c1-4(6(7,8)9)11-5-2-10-3-5;/h4-5,10H,2-3H2,1H3;1H
InChIKeyLSVNQNZTBXEESW-UHFFFAOYSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.35
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-trifluoropropan-2-yloxy)azetidine;hydrochloride?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride (CID 86775322) is 3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride is CC(OC1CNC1)C(F)(F)F.Cl.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride?
The InChIKey is LSVNQNZTBXEESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c1-4(6(7,8)9)11-5-2-10-3-5;/h4-5,10H,2-3H2,1H3;1H.
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride?
3-(1,1,1-trifluoropropan-2-yloxy)azetidine;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 1.35, 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-trifluoropropan-2-yloxy)azetidine;hydrochloride is sourced from PubChem (CID 86775322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).