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

C5H8F3NO — CID 62784257

IUPAC3-(2,2,2-trifluoroethoxy)azetidine
SMILESFC(F)(F)COC1CNC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-10-4-1-9-2-4/h4,9H,1-3H2
InChIKeyTXTIKGOZUZUFMT-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.54
Rot. Bonds2

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

3-(2,2,2-trifluoroethoxy)azetidine (PubChem CID 62784257) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)azetidine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)azetidine
PubChem CID62784257
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name3-(2,2,2-trifluoroethoxy)azetidine
SMILESFC(F)(F)COC1CNC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-10-4-1-9-2-4/h4,9H,1-3H2
InChIKeyTXTIKGOZUZUFMT-UHFFFAOYSA-N
XLogP0.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.54
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?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)azetidine (CID 62784257) is 3-(2,2,2-trifluoroethoxy)azetidine.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)azetidine?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)azetidine is FC(F)(F)COC1CNC1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)azetidine?
The InChIKey is TXTIKGOZUZUFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)3-10-4-1-9-2-4/h4,9H,1-3H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)azetidine?
3-(2,2,2-trifluoroethoxy)azetidine has a molecular weight of 155.12 g/mol, XLogP of 0.54, 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 is sourced from PubChem (CID 62784257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).