3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole

C14H19FN2 — CID 166973737

IUPAC3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole
SMILESCC(C)(C)CCCc1[nH]nc2cc(F)ccc12
InChIInChI=1S/C14H19FN2/c1-14(2,3)8-4-5-12-11-7-6-10(15)9-13(11)17-16-12/h6-7,9H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyNRNBOWZKXIGIGT-UHFFFAOYSA-N
MW234.32 g/mol
LogP4.07
Rot. Bonds3

About 3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole

3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole (PubChem CID 166973737) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole.

Molecular Properties

Compound Name3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole
PubChem CID166973737
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole
SMILESCC(C)(C)CCCc1[nH]nc2cc(F)ccc12
InChIInChI=1S/C14H19FN2/c1-14(2,3)8-4-5-12-11-7-6-10(15)9-13(11)17-16-12/h6-7,9H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyNRNBOWZKXIGIGT-UHFFFAOYSA-N
XLogP4.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole?
The IUPAC name of 3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole (CID 166973737) is 3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole.
What is the SMILES notation for 3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole?
The canonical SMILES for 3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole is CC(C)(C)CCCc1[nH]nc2cc(F)ccc12.
What is the InChIKey of 3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole?
The InChIKey is NRNBOWZKXIGIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-14(2,3)8-4-5-12-11-7-6-10(15)9-13(11)17-16-12/h6-7,9H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole?
3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole has a molecular weight of 234.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentyl)-6-fluoro-2H-indazole is sourced from PubChem (CID 166973737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).