3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine

C7H12F3NO — CID 79452315

IUPAC3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine
SMILESFC(F)(F)COCCC1CNC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-12-2-1-6-3-11-4-6/h6,11H,1-5H2
InChIKeyKIWLPGQGRZPOKC-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.17
Rot. Bonds4

About 3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine

3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine (PubChem CID 79452315) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine
PubChem CID79452315
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine
SMILESFC(F)(F)COCCC1CNC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-12-2-1-6-3-11-4-6/h6,11H,1-5H2
InChIKeyKIWLPGQGRZPOKC-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine?
The IUPAC name of 3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine (CID 79452315) is 3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine.
What is the SMILES notation for 3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine?
The canonical SMILES for 3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine is FC(F)(F)COCCC1CNC1.
What is the InChIKey of 3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine?
The InChIKey is KIWLPGQGRZPOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)5-12-2-1-6-3-11-4-6/h6,11H,1-5H2.
What are the key properties of 3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine?
3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine has a molecular weight of 183.17 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2,2-trifluoroethoxy)ethyl]azetidine is sourced from PubChem (CID 79452315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).