3-methoxyazetidine;2,2,2-trifluoroacetic acid

C6H10F3NO3 — CID 66847774

IUPAC3-methoxyazetidine;2,2,2-trifluoroacetic acid
SMILESCOC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-6-4-2-5-3-4;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7)
InChIKeyMIKUUHQPJILZNW-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.24
Rot. Bonds1

About 3-methoxyazetidine;2,2,2-trifluoroacetic acid

3-methoxyazetidine;2,2,2-trifluoroacetic acid (PubChem CID 66847774) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 3-methoxyazetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-methoxyazetidine;2,2,2-trifluoroacetic acid
PubChem CID66847774
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name3-methoxyazetidine;2,2,2-trifluoroacetic acid
SMILESCOC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO.C2HF3O2/c1-6-4-2-5-3-4;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7)
InChIKeyMIKUUHQPJILZNW-UHFFFAOYSA-N
XLogP0.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyazetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-methoxyazetidine;2,2,2-trifluoroacetic acid (CID 66847774) is 3-methoxyazetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-methoxyazetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-methoxyazetidine;2,2,2-trifluoroacetic acid is COC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-methoxyazetidine;2,2,2-trifluoroacetic acid?
The InChIKey is MIKUUHQPJILZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2HF3O2/c1-6-4-2-5-3-4;3-2(4,5)1(6)7/h4-5H,2-3H2,1H3;(H,6,7).
What are the key properties of 3-methoxyazetidine;2,2,2-trifluoroacetic acid?
3-methoxyazetidine;2,2,2-trifluoroacetic acid has a molecular weight of 201.14 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyazetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66847774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).