1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol

C23H24F3NO — CID 24748959

IUPAC1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol
SMILESCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C23H24F3NO/c1-21(12-6-9-16-7-2-4-10-19(16)21)15-22(28,23(24,25)26)14-18-13-17-8-3-5-11-20(17)27-18/h2-5,7-8,10-11,13,27-28H,6,9,12,14-15H2,1H3
InChIKeyVXDYCDVGFJGRIT-UHFFFAOYSA-N
MW387.45 g/mol
LogP5.69
Rot. Bonds4

About 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol

1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol (PubChem CID 24748959) has the molecular formula C23H24F3NO and a molecular weight of 387.45 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol
PubChem CID24748959
Molecular FormulaC23H24F3NO
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol
SMILESCC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C23H24F3NO/c1-21(12-6-9-16-7-2-4-10-19(16)21)15-22(28,23(24,25)26)14-18-13-17-8-3-5-11-20(17)27-18/h2-5,7-8,10-11,13,27-28H,6,9,12,14-15H2,1H3
InChIKeyVXDYCDVGFJGRIT-UHFFFAOYSA-N
XLogP5.69
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol (CID 24748959) is 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol is CC1(CC(O)(Cc2cc3ccccc3[nH]2)C(F)(F)F)CCCc2ccccc21.
What is the InChIKey of 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol?
The InChIKey is VXDYCDVGFJGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO/c1-21(12-6-9-16-7-2-4-10-19(16)21)15-22(28,23(24,25)26)14-18-13-17-8-3-5-11-20(17)27-18/h2-5,7-8,10-11,13,27-28H,6,9,12,14-15H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol?
1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol has a molecular weight of 387.45 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1H-indol-2-ylmethyl)-3-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)propan-2-ol is sourced from PubChem (CID 24748959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).