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

C17H16F3NO — CID 10709853

IUPAC(2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol
SMILESCCN1c2ccccc2[C@@](O)(C(F)(F)F)[C@@H]1c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-2-21-14-11-7-6-10-13(14)16(22,17(18,19)20)15(21)12-8-4-3-5-9-12/h3-11,15,22H,2H2,1H3/t15-,16-/m0/s1
InChIKeyQFPGAKOOIYSXCO-HOTGVXAUSA-N
MW307.31 g/mol
LogP4.02
Rot. Bonds2

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

(2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol (PubChem CID 10709853) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is (2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol
PubChem CID10709853
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name(2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol
SMILESCCN1c2ccccc2[C@@](O)(C(F)(F)F)[C@@H]1c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-2-21-14-11-7-6-10-13(14)16(22,17(18,19)20)15(21)12-8-4-3-5-9-12/h3-11,15,22H,2H2,1H3/t15-,16-/m0/s1
InChIKeyQFPGAKOOIYSXCO-HOTGVXAUSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.02
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-phenyl-3-(trifluoromethyl)-2H-indol-3-ol?
The IUPAC name of (2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol (CID 10709853) is (2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol.
What is the SMILES notation for (2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol?
The canonical SMILES for (2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol is CCN1c2ccccc2[C@@](O)(C(F)(F)F)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol?
The InChIKey is QFPGAKOOIYSXCO-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-2-21-14-11-7-6-10-13(14)16(22,17(18,19)20)15(21)12-8-4-3-5-9-12/h3-11,15,22H,2H2,1H3/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol?
(2S,3S)-1-ethyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol has a molecular weight of 307.31 g/mol, XLogP of 4.02, 2 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-phenyl-3-(trifluoromethyl)-2H-indol-3-ol is sourced from PubChem (CID 10709853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).