6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine

C16H12F5N3O — CID 122574405

IUPAC6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(-c3ccccc3OCC(F)(F)C(F)(F)F)ccc12
InChIInChI=1S/C16H12F5N3O/c17-15(18,16(19,20)21)8-25-13-4-2-1-3-10(13)9-5-6-11-12(7-9)23-24-14(11)22/h1-7H,8H2,(H3,22,23,24)
InChIKeyQBPHORWVQNCJSJ-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.39
Rot. Bonds4

About 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine

6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine (PubChem CID 122574405) has the molecular formula C16H12F5N3O and a molecular weight of 357.28 g/mol. Its IUPAC name is 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine
PubChem CID122574405
Molecular FormulaC16H12F5N3O
Molecular Weight357.28 g/mol
Exact Mass357.09
IUPAC Name6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(-c3ccccc3OCC(F)(F)C(F)(F)F)ccc12
InChIInChI=1S/C16H12F5N3O/c17-15(18,16(19,20)21)8-25-13-4-2-1-3-10(13)9-5-6-11-12(7-9)23-24-14(11)22/h1-7H,8H2,(H3,22,23,24)
InChIKeyQBPHORWVQNCJSJ-UHFFFAOYSA-N
XLogP4.39
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine 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

US10173985, Example 8
CID 122574394
US10173985, Example 24
CID 122574401
US10173985, Example 58
CID 122574404
US10173985, Example 42
CID 122574480
US10173985, Example 22
CID 122574532
4-(3-methylphenoxy)-1H-indazol-3-amine
CID 44523368
4-(1-ethoxypropan-2-yloxy)-1H-indazol-3-amine
CID 49830788
US10173985, Example 57
CID 122574365
US10173985, Example 3
CID 122574413
4-Methoxy-1H-indazol-3-amine
CID 18526053
6-(3-ethoxy-2,6-difluorophenyl)-1H-indazole
CID 145950580
6-(3-ethoxyphenyl)-3-(3-ethylphenyl)-1H-indazole
CID 166627771

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine?
The IUPAC name of 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine (CID 122574405) is 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine.
What is the SMILES notation for 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine?
The canonical SMILES for 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine is Nc1n[nH]c2cc(-c3ccccc3OCC(F)(F)C(F)(F)F)ccc12.
What is the InChIKey of 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine?
The InChIKey is QBPHORWVQNCJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N3O/c17-15(18,16(19,20)21)8-25-13-4-2-1-3-10(13)9-5-6-11-12(7-9)23-24-14(11)22/h1-7H,8H2,(H3,22,23,24).
What are the key properties of 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine?
6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine has a molecular weight of 357.28 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]-1H-indazol-3-amine is sourced from PubChem (CID 122574405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).