(1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol

C16H12F3NO — CID 102280271

IUPAC(1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol
SMILESO[C@](c1ccccc1)(c1cc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C16H12F3NO/c17-16(18,19)15(21,12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)20-14/h1-10,20-21H/t15-/m1/s1
InChIKeyWPDWIRGTRSQOQU-OAHLLOKOSA-N
MW291.27 g/mol
LogP3.97
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol

(1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol (PubChem CID 102280271) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol
PubChem CID102280271
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name(1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol
SMILESO[C@](c1ccccc1)(c1cc2ccccc2[nH]1)C(F)(F)F
InChIInChI=1S/C16H12F3NO/c17-16(18,19)15(21,12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)20-14/h1-10,20-21H/t15-/m1/s1
InChIKeyWPDWIRGTRSQOQU-OAHLLOKOSA-N
XLogP3.97
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol (CID 102280271) is (1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol is O[C@](c1ccccc1)(c1cc2ccccc2[nH]1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol?
The InChIKey is WPDWIRGTRSQOQU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)15(21,12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)20-14/h1-10,20-21H/t15-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol?
(1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol has a molecular weight of 291.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(1H-indol-2-yl)-1-phenylethanol is sourced from PubChem (CID 102280271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).