1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine

C11H10F4N2 — CID 84632135

IUPAC1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine
SMILESCNCc1c(C(F)(F)F)[nH]c2cc(F)ccc12
InChIInChI=1S/C11H10F4N2/c1-16-5-8-7-3-2-6(12)4-9(7)17-10(8)11(13,14)15/h2-4,16-17H,5H2,1H3
InChIKeyIMDJSOMMDARSSC-UHFFFAOYSA-N
MW246.21 g/mol
LogP3.05
Rot. Bonds2

About 1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine

1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine (PubChem CID 84632135) has the molecular formula C11H10F4N2 and a molecular weight of 246.21 g/mol. Its IUPAC name is 1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine
PubChem CID84632135
Molecular FormulaC11H10F4N2
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine
SMILESCNCc1c(C(F)(F)F)[nH]c2cc(F)ccc12
InChIInChI=1S/C11H10F4N2/c1-16-5-8-7-3-2-6(12)4-9(7)17-10(8)11(13,14)15/h2-4,16-17H,5H2,1H3
InChIKeyIMDJSOMMDARSSC-UHFFFAOYSA-N
XLogP3.05
TPSA27.82 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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine (CID 84632135) is 1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine is CNCc1c(C(F)(F)F)[nH]c2cc(F)ccc12.
What is the InChIKey of 1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine?
The InChIKey is IMDJSOMMDARSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2/c1-16-5-8-7-3-2-6(12)4-9(7)17-10(8)11(13,14)15/h2-4,16-17H,5H2,1H3.
What are the key properties of 1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine?
1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine has a molecular weight of 246.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 84632135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).