1-methyl-3-(trifluoromethoxy)azetidine

C5H8F3NO — CID 122534000

IUPAC1-methyl-3-(trifluoromethoxy)azetidine
SMILESCN1CC(OC(F)(F)F)C1
InChIInChI=1S/C5H8F3NO/c1-9-2-4(3-9)10-5(6,7)8/h4H,2-3H2,1H3
InChIKeyIJDKSEJIWRVWOR-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.84
Rot. Bonds1

About 1-methyl-3-(trifluoromethoxy)azetidine

1-methyl-3-(trifluoromethoxy)azetidine (PubChem CID 122534000) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethoxy)azetidine.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethoxy)azetidine
PubChem CID122534000
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name1-methyl-3-(trifluoromethoxy)azetidine
SMILESCN1CC(OC(F)(F)F)C1
InChIInChI=1S/C5H8F3NO/c1-9-2-4(3-9)10-5(6,7)8/h4H,2-3H2,1H3
InChIKeyIJDKSEJIWRVWOR-UHFFFAOYSA-N
XLogP0.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethoxy)azetidine?
The IUPAC name of 1-methyl-3-(trifluoromethoxy)azetidine (CID 122534000) is 1-methyl-3-(trifluoromethoxy)azetidine.
What is the SMILES notation for 1-methyl-3-(trifluoromethoxy)azetidine?
The canonical SMILES for 1-methyl-3-(trifluoromethoxy)azetidine is CN1CC(OC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethoxy)azetidine?
The InChIKey is IJDKSEJIWRVWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-9-2-4(3-9)10-5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethoxy)azetidine?
1-methyl-3-(trifluoromethoxy)azetidine has a molecular weight of 155.12 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethoxy)azetidine is sourced from PubChem (CID 122534000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).