3-methoxy-3-(trifluoromethyl)azetidine

C5H8F3NO — CID 121203413

IUPAC3-methoxy-3-(trifluoromethyl)azetidine
SMILESCOC1(C(F)(F)F)CNC1
InChIInChI=1S/C5H8F3NO/c1-10-4(2-9-3-4)5(6,7)8/h9H,2-3H2,1H3
InChIKeyVNJCLZREZUJUFS-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.54
Rot. Bonds1

About 3-methoxy-3-(trifluoromethyl)azetidine

3-methoxy-3-(trifluoromethyl)azetidine (PubChem CID 121203413) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)azetidine
PubChem CID121203413
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name3-methoxy-3-(trifluoromethyl)azetidine
SMILESCOC1(C(F)(F)F)CNC1
InChIInChI=1S/C5H8F3NO/c1-10-4(2-9-3-4)5(6,7)8/h9H,2-3H2,1H3
InChIKeyVNJCLZREZUJUFS-UHFFFAOYSA-N
XLogP0.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-methoxy-3-(trifluoromethyl)azetidine?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)azetidine (CID 121203413) is 3-methoxy-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)azetidine?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)azetidine is COC1(C(F)(F)F)CNC1.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)azetidine?
The InChIKey is VNJCLZREZUJUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-10-4(2-9-3-4)5(6,7)8/h9H,2-3H2,1H3.
What are the key properties of 3-methoxy-3-(trifluoromethyl)azetidine?
3-methoxy-3-(trifluoromethyl)azetidine has a molecular weight of 155.12 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 121203413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).