(2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol

C13H16F3NO2 — CID 11369385

IUPAC(2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol
SMILESCOC[C@@H](c1ccccc1)N1C[C@H](O)[C@@H]1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-19-8-10(9-5-3-2-4-6-9)17-7-11(18)12(17)13(14,15)16/h2-6,10-12,18H,7-8H2,1H3/t10-,11-,12+/m0/s1
InChIKeyKDEJCSUTWSIVOF-SDDRHHMPSA-N
MW275.27 g/mol
LogP1.98
Rot. Bonds4

About (2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol

(2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol (PubChem CID 11369385) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is (2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol
PubChem CID11369385
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name(2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol
SMILESCOC[C@@H](c1ccccc1)N1C[C@H](O)[C@@H]1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-19-8-10(9-5-3-2-4-6-9)17-7-11(18)12(17)13(14,15)16/h2-6,10-12,18H,7-8H2,1H3/t10-,11-,12+/m0/s1
InChIKeyKDEJCSUTWSIVOF-SDDRHHMPSA-N
XLogP1.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of (2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol (CID 11369385) is (2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for (2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for (2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol is COC[C@@H](c1ccccc1)N1C[C@H](O)[C@@H]1C(F)(F)F.
What is the InChIKey of (2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol?
The InChIKey is KDEJCSUTWSIVOF-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-19-8-10(9-5-3-2-4-6-9)17-7-11(18)12(17)13(14,15)16/h2-6,10-12,18H,7-8H2,1H3/t10-,11-,12+/m0/s1.
What are the key properties of (2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol?
(2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol has a molecular weight of 275.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-[(1R)-2-methoxy-1-phenylethyl]-2-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 11369385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).