6-fluoro-1,3-di(propan-2-yl)indazole

C13H17FN2 — CID 118489310

IUPAC6-fluoro-1,3-di(propan-2-yl)indazole
SMILESCC(C)c1nn(C(C)C)c2cc(F)ccc12
InChIInChI=1S/C13H17FN2/c1-8(2)13-11-6-5-10(14)7-12(11)16(15-13)9(3)4/h5-9H,1-4H3
InChIKeyJASJGTVGODOPSM-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.88
Rot. Bonds2

About 6-fluoro-1,3-di(propan-2-yl)indazole

6-fluoro-1,3-di(propan-2-yl)indazole (PubChem CID 118489310) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 6-fluoro-1,3-di(propan-2-yl)indazole.

Molecular Properties

Compound Name6-fluoro-1,3-di(propan-2-yl)indazole
PubChem CID118489310
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name6-fluoro-1,3-di(propan-2-yl)indazole
SMILESCC(C)c1nn(C(C)C)c2cc(F)ccc12
InChIInChI=1S/C13H17FN2/c1-8(2)13-11-6-5-10(14)7-12(11)16(15-13)9(3)4/h5-9H,1-4H3
InChIKeyJASJGTVGODOPSM-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-di(propan-2-yl)indazole?
The IUPAC name of 6-fluoro-1,3-di(propan-2-yl)indazole (CID 118489310) is 6-fluoro-1,3-di(propan-2-yl)indazole.
What is the SMILES notation for 6-fluoro-1,3-di(propan-2-yl)indazole?
The canonical SMILES for 6-fluoro-1,3-di(propan-2-yl)indazole is CC(C)c1nn(C(C)C)c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1,3-di(propan-2-yl)indazole?
The InChIKey is JASJGTVGODOPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-8(2)13-11-6-5-10(14)7-12(11)16(15-13)9(3)4/h5-9H,1-4H3.
What are the key properties of 6-fluoro-1,3-di(propan-2-yl)indazole?
6-fluoro-1,3-di(propan-2-yl)indazole has a molecular weight of 220.29 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-di(propan-2-yl)indazole is sourced from PubChem (CID 118489310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).