2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine

C11H10F4N2 — CID 84632127

IUPAC2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c(C(F)(F)F)[nH]c2ccc(F)cc12
InChIInChI=1S/C11H10F4N2/c12-6-1-2-9-8(5-6)7(3-4-16)10(17-9)11(13,14)15/h1-2,5,17H,3-4,16H2
InChIKeyNLJBRPCXGRXZCY-UHFFFAOYSA-N
MW246.21 g/mol
LogP2.83
Rot. Bonds2

About 2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine

2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine (PubChem CID 84632127) has the molecular formula C11H10F4N2 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
PubChem CID84632127
Molecular FormulaC11H10F4N2
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c(C(F)(F)F)[nH]c2ccc(F)cc12
InChIInChI=1S/C11H10F4N2/c12-6-1-2-9-8(5-6)7(3-4-16)10(17-9)11(13,14)15/h1-2,5,17H,3-4,16H2
InChIKeyNLJBRPCXGRXZCY-UHFFFAOYSA-N
XLogP2.83
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine (CID 84632127) is 2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine is NCCc1c(C(F)(F)F)[nH]c2ccc(F)cc12.
What is the InChIKey of 2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The InChIKey is NLJBRPCXGRXZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2/c12-6-1-2-9-8(5-6)7(3-4-16)10(17-9)11(13,14)15/h1-2,5,17H,3-4,16H2.
What are the key properties of 2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine has a molecular weight of 246.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 84632127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).