6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole

C16H13F3N2O — CID 90645466

IUPAC6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCCOc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F3N2O/c1-2-22-15-8-14-10(9-20-21-14)7-12(15)11-5-3-4-6-13(11)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
InChIKeyJROSFXIRTRVADR-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.65
Rot. Bonds3

About 6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole

6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645466) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645466
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCCOc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F3N2O/c1-2-22-15-8-14-10(9-20-21-14)7-12(15)11-5-3-4-6-13(11)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
InChIKeyJROSFXIRTRVADR-UHFFFAOYSA-N
XLogP4.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645466) is 6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole is CCOc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is JROSFXIRTRVADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-2-22-15-8-14-10(9-20-21-14)7-12(15)11-5-3-4-6-13(11)16(17,18)19/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of 6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 306.29 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).