2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine

C7H12F3NO — CID 171796161

IUPAC2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine
SMILESCC1CCN1CCOC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6-2-3-11(6)4-5-12-7(8,9)10/h6H,2-5H2,1H3
InChIKeyHJZFRHNNEFYKQT-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.62
Rot. Bonds3

About 2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine

2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine (PubChem CID 171796161) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine
PubChem CID171796161
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine
SMILESCC1CCN1CCOC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6-2-3-11(6)4-5-12-7(8,9)10/h6H,2-5H2,1H3
InChIKeyHJZFRHNNEFYKQT-UHFFFAOYSA-N
XLogP1.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine?
The IUPAC name of 2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine (CID 171796161) is 2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine is CC1CCN1CCOC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine?
The InChIKey is HJZFRHNNEFYKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6-2-3-11(6)4-5-12-7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine?
2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine has a molecular weight of 183.17 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethoxy)ethyl]azetidine is sourced from PubChem (CID 171796161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).