1-propan-2-yl-3-(trifluoromethoxy)azetidine

C7H12F3NO — CID 137409406

IUPAC1-propan-2-yl-3-(trifluoromethoxy)azetidine
SMILESCC(C)N1CC(OC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-5(2)11-3-6(4-11)12-7(8,9)10/h5-6H,3-4H2,1-2H3
InChIKeyIUGWUYHNTIBYLM-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.62
Rot. Bonds2

About 1-propan-2-yl-3-(trifluoromethoxy)azetidine

1-propan-2-yl-3-(trifluoromethoxy)azetidine (PubChem CID 137409406) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethoxy)azetidine.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethoxy)azetidine
PubChem CID137409406
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1-propan-2-yl-3-(trifluoromethoxy)azetidine
SMILESCC(C)N1CC(OC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-5(2)11-3-6(4-11)12-7(8,9)10/h5-6H,3-4H2,1-2H3
InChIKeyIUGWUYHNTIBYLM-UHFFFAOYSA-N
XLogP1.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 1-propan-2-yl-3-(trifluoromethoxy)azetidine?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethoxy)azetidine (CID 137409406) is 1-propan-2-yl-3-(trifluoromethoxy)azetidine.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethoxy)azetidine?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethoxy)azetidine is CC(C)N1CC(OC(F)(F)F)C1.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethoxy)azetidine?
The InChIKey is IUGWUYHNTIBYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5(2)11-3-6(4-11)12-7(8,9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethoxy)azetidine?
1-propan-2-yl-3-(trifluoromethoxy)azetidine has a molecular weight of 183.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethoxy)azetidine is sourced from PubChem (CID 137409406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).