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

C16H14F3NO — CID 10517806

IUPAC(2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol
SMILESCN1c2ccccc2[C@@](O)(C(F)(F)F)[C@@H]1c1ccccc1
InChIInChI=1S/C16H14F3NO/c1-20-13-10-6-5-9-12(13)15(21,16(17,18)19)14(20)11-7-3-2-4-8-11/h2-10,14,21H,1H3/t14-,15-/m0/s1
InChIKeyCDRFRXAFRKVXFD-GJZGRUSLSA-N
MW293.29 g/mol
LogP3.63
Rot. Bonds1

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

(2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol (PubChem CID 10517806) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is (2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol
PubChem CID10517806
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name(2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol
SMILESCN1c2ccccc2[C@@](O)(C(F)(F)F)[C@@H]1c1ccccc1
InChIInChI=1S/C16H14F3NO/c1-20-13-10-6-5-9-12(13)15(21,16(17,18)19)14(20)11-7-3-2-4-8-11/h2-10,14,21H,1H3/t14-,15-/m0/s1
InChIKeyCDRFRXAFRKVXFD-GJZGRUSLSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol?
The IUPAC name of (2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol (CID 10517806) is (2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol.
What is the SMILES notation for (2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol?
The canonical SMILES for (2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol is CN1c2ccccc2[C@@](O)(C(F)(F)F)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol?
The InChIKey is CDRFRXAFRKVXFD-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-20-13-10-6-5-9-12(13)15(21,16(17,18)19)14(20)11-7-3-2-4-8-11/h2-10,14,21H,1H3/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol?
(2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol has a molecular weight of 293.29 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol is sourced from PubChem (CID 10517806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).