2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate

C15H9F3N2O3S — CID 56663155

IUPAC2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
SMILESO=C(OCC(F)(F)F)c1nn(C(=O)c2ccsc2)c2ccccc12
InChIInChI=1S/C15H9F3N2O3S/c16-15(17,18)8-23-14(22)12-10-3-1-2-4-11(10)20(19-12)13(21)9-5-6-24-7-9/h1-7H,8H2
InChIKeyOVUCWELEQUREKO-UHFFFAOYSA-N
MW354.31 g/mol
LogP3.51
Rot. Bonds3

About 2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate

2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate (PubChem CID 56663155) has the molecular formula C15H9F3N2O3S and a molecular weight of 354.31 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
PubChem CID56663155
Molecular FormulaC15H9F3N2O3S
Molecular Weight354.31 g/mol
Exact Mass354.03
IUPAC Name2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
SMILESO=C(OCC(F)(F)F)c1nn(C(=O)c2ccsc2)c2ccccc12
InChIInChI=1S/C15H9F3N2O3S/c16-15(17,18)8-23-14(22)12-10-3-1-2-4-11(10)20(19-12)13(21)9-5-6-24-7-9/h1-7H,8H2
InChIKeyOVUCWELEQUREKO-UHFFFAOYSA-N
XLogP3.51
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate (CID 56663155) is 2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate is O=C(OCC(F)(F)F)c1nn(C(=O)c2ccsc2)c2ccccc12.
What is the InChIKey of 2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The InChIKey is OVUCWELEQUREKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3S/c16-15(17,18)8-23-14(22)12-10-3-1-2-4-11(10)20(19-12)13(21)9-5-6-24-7-9/h1-7H,8H2.
What are the key properties of 2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate has a molecular weight of 354.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 1-(thiophene-3-carbonyl)indazole-3-carboxylate is sourced from PubChem (CID 56663155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).