5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole

C10H5F7N2 — CID 138396393

IUPAC5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
SMILESFC(F)(F)C(F)(c1ccc2[nH]ncc2c1)C(F)(F)F
InChIInChI=1S/C10H5F7N2/c11-8(9(12,13)14,10(15,16)17)6-1-2-7-5(3-6)4-18-19-7/h1-4H,(H,18,19)
InChIKeyIVXOJEBXGRVURA-UHFFFAOYSA-N
MW286.15 g/mol
LogP3.85
Rot. Bonds1

About 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole (PubChem CID 138396393) has the molecular formula C10H5F7N2 and a molecular weight of 286.15 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
PubChem CID138396393
Molecular FormulaC10H5F7N2
Molecular Weight286.15 g/mol
Exact Mass286.03
IUPAC Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
SMILESFC(F)(F)C(F)(c1ccc2[nH]ncc2c1)C(F)(F)F
InChIInChI=1S/C10H5F7N2/c11-8(9(12,13)14,10(15,16)17)6-1-2-7-5(3-6)4-18-19-7/h1-4H,(H,18,19)
InChIKeyIVXOJEBXGRVURA-UHFFFAOYSA-N
XLogP3.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-indazol-5-yl)pentan-3-ol
CID 58731273
2-(1H-indazol-5-yl)-2-methylpropan-1-ol
CID 117281905
5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole
CID 137346968
1,1,1-trifluoro-2-(1H-indazol-5-yl)-3-(2,3,6-trifluorophenoxy)propan-2-ol
CID 162582582
1H-indazole-5-thiolate
CID 51922109
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744
ethane;5-methyl-1H-indazole
CID 178026047
5-tert-butyl-1H-indazole;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole)
CID 161259846
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
1H-indazol-5-yl(methanidyl)azanium
CID 23545601
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
2-(3-fluorophenyl)-2-(1H-indazol-5-yl)-2-(methylamino)acetamide
CID 154700287

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole (CID 138396393) is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole is FC(F)(F)C(F)(c1ccc2[nH]ncc2c1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole?
The InChIKey is IVXOJEBXGRVURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F7N2/c11-8(9(12,13)14,10(15,16)17)6-1-2-7-5(3-6)4-18-19-7/h1-4H,(H,18,19).
What are the key properties of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole?
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole has a molecular weight of 286.15 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole is sourced from PubChem (CID 138396393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).