1H-indol-2-ylazanium;2,2,2-trifluoroacetate

C10H9F3N2O2 — CID 163323001

IUPAC1H-indol-2-ylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]c1cc2ccccc2[nH]1
InChIInChI=1S/C8H8N2.C2HF3O2/c9-8-5-6-3-1-2-4-7(6)10-8;3-2(4,5)1(6)7/h1-5,10H,9H2;(H,6,7)
InChIKeyKVBFCWQGBHFRAQ-UHFFFAOYSA-N
MW246.19 g/mol
LogP0.34
Rot. Bonds

About 1H-indol-2-ylazanium;2,2,2-trifluoroacetate

1H-indol-2-ylazanium;2,2,2-trifluoroacetate (PubChem CID 163323001) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 1H-indol-2-ylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1H-indol-2-ylazanium;2,2,2-trifluoroacetate
PubChem CID163323001
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name1H-indol-2-ylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]c1cc2ccccc2[nH]1
InChIInChI=1S/C8H8N2.C2HF3O2/c9-8-5-6-3-1-2-4-7(6)10-8;3-2(4,5)1(6)7/h1-5,10H,9H2;(H,6,7)
InChIKeyKVBFCWQGBHFRAQ-UHFFFAOYSA-N
XLogP0.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-ylazanium;2,2,2-trifluoroacetate?
The IUPAC name of 1H-indol-2-ylazanium;2,2,2-trifluoroacetate (CID 163323001) is 1H-indol-2-ylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for 1H-indol-2-ylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for 1H-indol-2-ylazanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]c1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-ylazanium;2,2,2-trifluoroacetate?
The InChIKey is KVBFCWQGBHFRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2HF3O2/c9-8-5-6-3-1-2-4-7(6)10-8;3-2(4,5)1(6)7/h1-5,10H,9H2;(H,6,7).
What are the key properties of 1H-indol-2-ylazanium;2,2,2-trifluoroacetate?
1H-indol-2-ylazanium;2,2,2-trifluoroacetate has a molecular weight of 246.19 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-ylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 163323001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).