2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol

C26H19F3N2O — CID 15979153

IUPAC2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCc1ccc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)c2ccccc12
InChIInChI=1S/C26H19F3N2O/c1-17-11-13-23(22-10-6-5-9-21(17)22)25(32,26(27,28)29)19-12-14-24-18(15-19)16-30-31(24)20-7-3-2-4-8-20/h2-16,32H,1H3
InChIKeyVSPKQPFVUJFWGK-UHFFFAOYSA-N
MW432.45 g/mol
LogP6.29
Rot. Bonds3

About 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol

2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol (PubChem CID 15979153) has the molecular formula C26H19F3N2O and a molecular weight of 432.45 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol
PubChem CID15979153
Molecular FormulaC26H19F3N2O
Molecular Weight432.45 g/mol
Exact Mass432.14
IUPAC Name2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol
SMILESCc1ccc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)c2ccccc12
InChIInChI=1S/C26H19F3N2O/c1-17-11-13-23(22-10-6-5-9-21(17)22)25(32,26(27,28)29)19-12-14-24-18(15-19)16-30-31(24)20-7-3-2-4-8-20/h2-16,32H,1H3
InChIKeyVSPKQPFVUJFWGK-UHFFFAOYSA-N
XLogP6.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol (CID 15979153) is 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol is Cc1ccc(C(O)(c2ccc3c(cnn3-c3ccccc3)c2)C(F)(F)F)c2ccccc12.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol?
The InChIKey is VSPKQPFVUJFWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O/c1-17-11-13-23(22-10-6-5-9-21(17)22)25(32,26(27,28)29)19-12-14-24-18(15-19)16-30-31(24)20-7-3-2-4-8-20/h2-16,32H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol has a molecular weight of 432.45 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)-1-(1-phenylindazol-5-yl)ethanol is sourced from PubChem (CID 15979153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).