[2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate

C11H7F3N2O4 — CID 175078594

IUPAC[2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate
SMILESO=C(COc1ccc2cn[nH]c2c1)OC(=O)C(F)(F)F
InChIInChI=1S/C11H7F3N2O4/c12-11(13,14)10(18)20-9(17)5-19-7-2-1-6-4-15-16-8(6)3-7/h1-4H,5H2,(H,15,16)
InChIKeyFZBCXLVNXNKCSJ-UHFFFAOYSA-N
MW288.18 g/mol
LogP1.57
Rot. Bonds3

About [2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate

[2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate (PubChem CID 175078594) has the molecular formula C11H7F3N2O4 and a molecular weight of 288.18 g/mol. Its IUPAC name is [2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate
PubChem CID175078594
Molecular FormulaC11H7F3N2O4
Molecular Weight288.18 g/mol
Exact Mass288.04
IUPAC Name[2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate
SMILESO=C(COc1ccc2cn[nH]c2c1)OC(=O)C(F)(F)F
InChIInChI=1S/C11H7F3N2O4/c12-11(13,14)10(18)20-9(17)5-19-7-2-1-6-4-15-16-8(6)3-7/h1-4H,5H2,(H,15,16)
InChIKeyFZBCXLVNXNKCSJ-UHFFFAOYSA-N
XLogP1.57
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopropylmethoxy)-1H-indazole
CID 67778171
ethane;6-methoxy-1H-indazole
CID 144719676
2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide
CID 155302879
N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide
CID 155092876
6-(4-piperazin-1-ylbutoxy)-1H-indazole
CID 134443326
1H-indazol-6-yl furan-2-carboxylate
CID 71857506
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
6-(pyrrolidin-2-ylmethoxy)-1H-indazole
CID 84682883
6-pyridin-4-yloxy-1H-indazole
CID 163366641
1H-indazol-5-yl 2-hydroxyacetate
CID 117051739
2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165456
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate (CID 175078594) is [2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate is O=C(COc1ccc2cn[nH]c2c1)OC(=O)C(F)(F)F.
What is the InChIKey of [2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate?
The InChIKey is FZBCXLVNXNKCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O4/c12-11(13,14)10(18)20-9(17)5-19-7-2-1-6-4-15-16-8(6)3-7/h1-4H,5H2,(H,15,16).
What are the key properties of [2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate?
[2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate has a molecular weight of 288.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indazol-6-yloxy)acetyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 175078594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).