[4-(trifluoromethyl)-1H-indol-2-yl]methanamine

C10H9F3N2 — CID 117194261

IUPAC[4-(trifluoromethyl)-1H-indol-2-yl]methanamine
SMILESNCc1cc2c(C(F)(F)F)cccc2[nH]1
InChIInChI=1S/C10H9F3N2/c11-10(12,13)8-2-1-3-9-7(8)4-6(5-14)15-9/h1-4,15H,5,14H2
InChIKeyFUFQHQABVGYSGO-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.65
Rot. Bonds1

About [4-(trifluoromethyl)-1H-indol-2-yl]methanamine

[4-(trifluoromethyl)-1H-indol-2-yl]methanamine (PubChem CID 117194261) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is [4-(trifluoromethyl)-1H-indol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethyl)-1H-indol-2-yl]methanamine
PubChem CID117194261
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name[4-(trifluoromethyl)-1H-indol-2-yl]methanamine
SMILESNCc1cc2c(C(F)(F)F)cccc2[nH]1
InChIInChI=1S/C10H9F3N2/c11-10(12,13)8-2-1-3-9-7(8)4-6(5-14)15-9/h1-4,15H,5,14H2
InChIKeyFUFQHQABVGYSGO-UHFFFAOYSA-N
XLogP2.65
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-1H-indol-2-yl]methanamine?
The IUPAC name of [4-(trifluoromethyl)-1H-indol-2-yl]methanamine (CID 117194261) is [4-(trifluoromethyl)-1H-indol-2-yl]methanamine.
What is the SMILES notation for [4-(trifluoromethyl)-1H-indol-2-yl]methanamine?
The canonical SMILES for [4-(trifluoromethyl)-1H-indol-2-yl]methanamine is NCc1cc2c(C(F)(F)F)cccc2[nH]1.
What is the InChIKey of [4-(trifluoromethyl)-1H-indol-2-yl]methanamine?
The InChIKey is FUFQHQABVGYSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c11-10(12,13)8-2-1-3-9-7(8)4-6(5-14)15-9/h1-4,15H,5,14H2.
What are the key properties of [4-(trifluoromethyl)-1H-indol-2-yl]methanamine?
[4-(trifluoromethyl)-1H-indol-2-yl]methanamine has a molecular weight of 214.19 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-1H-indol-2-yl]methanamine is sourced from PubChem (CID 117194261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).