2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol

C26H19F3N2O2 — CID 15980776

IUPAC2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1ccc2cc(C(O)(c3ccc4c(cnn4-c4ccccc4)c3)C(F)(F)F)ccc2c1
InChIInChI=1S/C26H19F3N2O2/c1-33-23-11-8-17-13-20(9-7-18(17)15-23)25(32,26(27,28)29)21-10-12-24-19(14-21)16-30-31(24)22-5-3-2-4-6-22/h2-16,32H,1H3
InChIKeyFEYIQJLIXLJEOD-UHFFFAOYSA-N
MW448.44 g/mol
LogP5.99
Rot. Bonds4

About 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol

2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15980776) has the molecular formula C26H19F3N2O2 and a molecular weight of 448.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15980776
Molecular FormulaC26H19F3N2O2
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC Name2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCOc1ccc2cc(C(O)(c3ccc4c(cnn4-c4ccccc4)c3)C(F)(F)F)ccc2c1
InChIInChI=1S/C26H19F3N2O2/c1-33-23-11-8-17-13-20(9-7-18(17)15-23)25(32,26(27,28)29)21-10-12-24-19(14-21)16-30-31(24)22-5-3-2-4-6-22/h2-16,32H,1H3
InChIKeyFEYIQJLIXLJEOD-UHFFFAOYSA-N
XLogP5.99
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.44
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol (CID 15980776) is 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol is COc1ccc2cc(C(O)(c3ccc4c(cnn4-c4ccccc4)c3)C(F)(F)F)ccc2c1.
What is the InChIKey of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is FEYIQJLIXLJEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2/c1-33-23-11-8-17-13-20(9-7-18(17)15-23)25(32,26(27,28)29)21-10-12-24-19(14-21)16-30-31(24)22-5-3-2-4-6-22/h2-16,32H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 448.44 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15980776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).