1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid

C11H13F3N2O2 — CID 175942744

IUPAC1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid
SMILESO=C(O)c1nn(CF)c2c1C(CF)(CF)CCC2
InChIInChI=1S/C11H13F3N2O2/c12-4-11(5-13)3-1-2-7-8(11)9(10(17)18)15-16(7)6-14/h1-6H2,(H,17,18)
InChIKeyFACXBESRCWHSNK-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.02
Rot. Bonds4

About 1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid

1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid (PubChem CID 175942744) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid
PubChem CID175942744
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid
SMILESO=C(O)c1nn(CF)c2c1C(CF)(CF)CCC2
InChIInChI=1S/C11H13F3N2O2/c12-4-11(5-13)3-1-2-7-8(11)9(10(17)18)15-16(7)6-14/h1-6H2,(H,17,18)
InChIKeyFACXBESRCWHSNK-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid?
The IUPAC name of 1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid (CID 175942744) is 1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid.
What is the SMILES notation for 1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid?
The canonical SMILES for 1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid is O=C(O)c1nn(CF)c2c1C(CF)(CF)CCC2.
What is the InChIKey of 1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid?
The InChIKey is FACXBESRCWHSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-4-11(5-13)3-1-2-7-8(11)9(10(17)18)15-16(7)6-14/h1-6H2,(H,17,18).
What are the key properties of 1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid?
1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-tris(fluoromethyl)-6,7-dihydro-5H-indazole-3-carboxylic acid is sourced from PubChem (CID 175942744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).