(2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol

C19H20F3NO — CID 10854257

IUPAC(2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol
SMILESCCN1c2ccccc2[C@@](O)(C(F)(F)F)[C@@H]1CCc1ccccc1
InChIInChI=1S/C19H20F3NO/c1-2-23-16-11-7-6-10-15(16)18(24,19(20,21)22)17(23)13-12-14-8-4-3-5-9-14/h3-11,17,24H,2,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyBMYXNNYKZAHTKQ-ROUUACIJSA-N
MW335.37 g/mol
LogP4.28
Rot. Bonds4

About (2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol

(2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol (PubChem CID 10854257) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is (2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol
PubChem CID10854257
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name(2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol
SMILESCCN1c2ccccc2[C@@](O)(C(F)(F)F)[C@@H]1CCc1ccccc1
InChIInChI=1S/C19H20F3NO/c1-2-23-16-11-7-6-10-15(16)18(24,19(20,21)22)17(23)13-12-14-8-4-3-5-9-14/h3-11,17,24H,2,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyBMYXNNYKZAHTKQ-ROUUACIJSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol?
The IUPAC name of (2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol (CID 10854257) is (2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol.
What is the SMILES notation for (2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol?
The canonical SMILES for (2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol is CCN1c2ccccc2[C@@](O)(C(F)(F)F)[C@@H]1CCc1ccccc1.
What is the InChIKey of (2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol?
The InChIKey is BMYXNNYKZAHTKQ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-2-23-16-11-7-6-10-15(16)18(24,19(20,21)22)17(23)13-12-14-8-4-3-5-9-14/h3-11,17,24H,2,12-13H2,1H3/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol?
(2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol has a molecular weight of 335.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-ethyl-2-(2-phenylethyl)-3-(trifluoromethyl)-2H-indol-3-ol is sourced from PubChem (CID 10854257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).