[(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate

C7H10F3NO3 — CID 68949600

IUPAC[(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOC[C@H]1CCN1OC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-13-4-5-2-3-11(5)14-6(12)7(8,9)10/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyUBRNMKBDKUPGCH-RXMQYKEDSA-N
MW213.15 g/mol
LogP0.73
Rot. Bonds3

About [(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate

[(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 68949600) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is [(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID68949600
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name[(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOC[C@H]1CCN1OC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-13-4-5-2-3-11(5)14-6(12)7(8,9)10/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyUBRNMKBDKUPGCH-RXMQYKEDSA-N
XLogP0.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate (CID 68949600) is [(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate is COC[C@H]1CCN1OC(=O)C(F)(F)F.
What is the InChIKey of [(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is UBRNMKBDKUPGCH-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-13-4-5-2-3-11(5)14-6(12)7(8,9)10/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of [(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate?
[(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 213.15 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68949600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).