3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride

C5H9ClF3NO — CID 75481701

IUPAC3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride
SMILESCl.FC(F)(F)COC1CNC1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-10-4-1-9-2-4;/h4,9H,1-3H2;1H
InChIKeyMHQALPSRXJJAOV-UHFFFAOYSA-N
MW191.58 g/mol
LogP0.96
Rot. Bonds2

About 3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride

3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride (PubChem CID 75481701) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride
PubChem CID75481701
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride
SMILESCl.FC(F)(F)COC1CNC1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-10-4-1-9-2-4;/h4,9H,1-3H2;1H
InChIKeyMHQALPSRXJJAOV-UHFFFAOYSA-N
XLogP0.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride (CID 75481701) is 3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride is Cl.FC(F)(F)COC1CNC1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride?
The InChIKey is MHQALPSRXJJAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c6-5(7,8)3-10-4-1-9-2-4;/h4,9H,1-3H2;1H.
What are the key properties of 3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride?
3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)azetidine;hydrochloride is sourced from PubChem (CID 75481701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).