(2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid

C7H12F3NO3 — CID 68948694

IUPAC(2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid
SMILESCOC[C@@H]1CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-7-4-5-2-3-6-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)/t5-;/m0./s1
InChIKeyPUHVQADTSWMROX-JEDNCBNOSA-N
MW215.17 g/mol
LogP0.63
Rot. Bonds2

About (2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid

(2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid (PubChem CID 68948694) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid
PubChem CID68948694
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name(2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid
SMILESCOC[C@@H]1CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-7-4-5-2-3-6-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)/t5-;/m0./s1
InChIKeyPUHVQADTSWMROX-JEDNCBNOSA-N
XLogP0.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid (CID 68948694) is (2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid is COC[C@@H]1CCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid?
The InChIKey is PUHVQADTSWMROX-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H11NO.C2HF3O2/c1-7-4-5-2-3-6-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)/t5-;/m0./s1.
What are the key properties of (2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid?
(2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid has a molecular weight of 215.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)azetidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68948694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).