3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid

C8H14F3NO3 — CID 146273062

IUPAC3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid
SMILESCC(C)OC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO.C2HF3O2/c1-5(2)8-6-3-7-4-6;3-2(4,5)1(6)7/h5-7H,3-4H2,1-2H3;(H,6,7)
InChIKeyXIZXJWUGWIEACY-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.02
Rot. Bonds2

About 3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid

3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid (PubChem CID 146273062) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid
PubChem CID146273062
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid
SMILESCC(C)OC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO.C2HF3O2/c1-5(2)8-6-3-7-4-6;3-2(4,5)1(6)7/h5-7H,3-4H2,1-2H3;(H,6,7)
InChIKeyXIZXJWUGWIEACY-UHFFFAOYSA-N
XLogP1.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid (CID 146273062) is 3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid is CC(C)OC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid?
The InChIKey is XIZXJWUGWIEACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2HF3O2/c1-5(2)8-6-3-7-4-6;3-2(4,5)1(6)7/h5-7H,3-4H2,1-2H3;(H,6,7).
What are the key properties of 3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid?
3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid has a molecular weight of 229.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxyazetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146273062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).