5-tert-butyl-3-chloro-2-(difluoromethyl)indazole

C12H13ClF2N2 — CID 169059039

IUPAC5-tert-butyl-3-chloro-2-(difluoromethyl)indazole
SMILESCC(C)(C)c1ccc2nn(C(F)F)c(Cl)c2c1
InChIInChI=1S/C12H13ClF2N2/c1-12(2,3)7-4-5-9-8(6-7)10(13)17(16-9)11(14)15/h4-6,11H,1-3H3
InChIKeyYOQNKMROSZBEDL-UHFFFAOYSA-N
MW258.70 g/mol
LogP4.38
Rot. Bonds1

About 5-tert-butyl-3-chloro-2-(difluoromethyl)indazole

5-tert-butyl-3-chloro-2-(difluoromethyl)indazole (PubChem CID 169059039) has the molecular formula C12H13ClF2N2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-2-(difluoromethyl)indazole.

Molecular Properties

Compound Name5-tert-butyl-3-chloro-2-(difluoromethyl)indazole
PubChem CID169059039
Molecular FormulaC12H13ClF2N2
Molecular Weight258.70 g/mol
Exact Mass258.07
IUPAC Name5-tert-butyl-3-chloro-2-(difluoromethyl)indazole
SMILESCC(C)(C)c1ccc2nn(C(F)F)c(Cl)c2c1
InChIInChI=1S/C12H13ClF2N2/c1-12(2,3)7-4-5-9-8(6-7)10(13)17(16-9)11(14)15/h4-6,11H,1-3H3
InChIKeyYOQNKMROSZBEDL-UHFFFAOYSA-N
XLogP4.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-2-(difluoromethyl)indazole?
The IUPAC name of 5-tert-butyl-3-chloro-2-(difluoromethyl)indazole (CID 169059039) is 5-tert-butyl-3-chloro-2-(difluoromethyl)indazole.
What is the SMILES notation for 5-tert-butyl-3-chloro-2-(difluoromethyl)indazole?
The canonical SMILES for 5-tert-butyl-3-chloro-2-(difluoromethyl)indazole is CC(C)(C)c1ccc2nn(C(F)F)c(Cl)c2c1.
What is the InChIKey of 5-tert-butyl-3-chloro-2-(difluoromethyl)indazole?
The InChIKey is YOQNKMROSZBEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2/c1-12(2,3)7-4-5-9-8(6-7)10(13)17(16-9)11(14)15/h4-6,11H,1-3H3.
What are the key properties of 5-tert-butyl-3-chloro-2-(difluoromethyl)indazole?
5-tert-butyl-3-chloro-2-(difluoromethyl)indazole has a molecular weight of 258.70 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloro-2-(difluoromethyl)indazole is sourced from PubChem (CID 169059039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).