2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine

C11H10ClF3N2 — CID 59173221

IUPAC2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c(C(F)(F)F)[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H10ClF3N2/c12-8-3-1-2-6-7(4-5-16)10(11(13,14)15)17-9(6)8/h1-3,17H,4-5,16H2
InChIKeyIQXSYUPFEPSREK-UHFFFAOYSA-N
MW262.66 g/mol
LogP3.34
Rot. Bonds2

About 2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine

2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine (PubChem CID 59173221) has the molecular formula C11H10ClF3N2 and a molecular weight of 262.66 g/mol. Its IUPAC name is 2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
PubChem CID59173221
Molecular FormulaC11H10ClF3N2
Molecular Weight262.66 g/mol
Exact Mass262.05
IUPAC Name2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c(C(F)(F)F)[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H10ClF3N2/c12-8-3-1-2-6-7(4-5-16)10(11(13,14)15)17-9(6)8/h1-3,17H,4-5,16H2
InChIKeyIQXSYUPFEPSREK-UHFFFAOYSA-N
XLogP3.34
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine (CID 59173221) is 2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine is NCCc1c(C(F)(F)F)[nH]c2c(Cl)cccc12.
What is the InChIKey of 2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The InChIKey is IQXSYUPFEPSREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2/c12-8-3-1-2-6-7(4-5-16)10(11(13,14)15)17-9(6)8/h1-3,17H,4-5,16H2.
What are the key properties of 2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine has a molecular weight of 262.66 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 59173221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).