2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine

C10H10F3N3 — CID 76846281

IUPAC2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine
SMILESNCCc1[nH]nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C10H10F3N3/c11-10(12,13)6-1-2-7-8(3-4-14)15-16-9(7)5-6/h1-2,5H,3-4,14H2,(H,15,16)
InChIKeyADZKUSFAISZWRX-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.08
Rot. Bonds2

About 2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine

2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine (PubChem CID 76846281) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine
PubChem CID76846281
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine
SMILESNCCc1[nH]nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C10H10F3N3/c11-10(12,13)6-1-2-7-8(3-4-14)15-16-9(7)5-6/h1-2,5H,3-4,14H2,(H,15,16)
InChIKeyADZKUSFAISZWRX-UHFFFAOYSA-N
XLogP2.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine?
The IUPAC name of 2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine (CID 76846281) is 2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine.
What is the SMILES notation for 2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine?
The canonical SMILES for 2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine is NCCc1[nH]nc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine?
The InChIKey is ADZKUSFAISZWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c11-10(12,13)6-1-2-7-8(3-4-14)15-16-9(7)5-6/h1-2,5H,3-4,14H2,(H,15,16).
What are the key properties of 2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine?
2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine has a molecular weight of 229.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine is sourced from PubChem (CID 76846281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).