3-phenyl-1-(2,2,2-trifluoroethyl)indazole

C15H11F3N2 — CID 118568942

IUPAC3-phenyl-1-(2,2,2-trifluoroethyl)indazole
SMILESFC(F)(F)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C15H11F3N2/c16-15(17,18)10-20-13-9-5-4-8-12(13)14(19-20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyHQZIABLRBLTEIQ-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.27
Rot. Bonds2

About 3-phenyl-1-(2,2,2-trifluoroethyl)indazole

3-phenyl-1-(2,2,2-trifluoroethyl)indazole (PubChem CID 118568942) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-phenyl-1-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

Compound Name3-phenyl-1-(2,2,2-trifluoroethyl)indazole
PubChem CID118568942
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name3-phenyl-1-(2,2,2-trifluoroethyl)indazole
SMILESFC(F)(F)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C15H11F3N2/c16-15(17,18)10-20-13-9-5-4-8-12(13)14(19-20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyHQZIABLRBLTEIQ-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2,2,2-trifluoroethyl)indazole?
The IUPAC name of 3-phenyl-1-(2,2,2-trifluoroethyl)indazole (CID 118568942) is 3-phenyl-1-(2,2,2-trifluoroethyl)indazole.
What is the SMILES notation for 3-phenyl-1-(2,2,2-trifluoroethyl)indazole?
The canonical SMILES for 3-phenyl-1-(2,2,2-trifluoroethyl)indazole is FC(F)(F)Cn1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 3-phenyl-1-(2,2,2-trifluoroethyl)indazole?
The InChIKey is HQZIABLRBLTEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c16-15(17,18)10-20-13-9-5-4-8-12(13)14(19-20)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 3-phenyl-1-(2,2,2-trifluoroethyl)indazole?
3-phenyl-1-(2,2,2-trifluoroethyl)indazole has a molecular weight of 276.26 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 118568942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).