1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine

C11H11F3N2S — CID 116615863

IUPAC1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine
SMILESNc1cccc2c1ccn2CCSC(F)(F)F
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)17-7-6-16-5-4-8-9(15)2-1-3-10(8)16/h1-5H,6-7,15H2
InChIKeyQGMXZWKFFUDIJP-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.48
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine

1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine (PubChem CID 116615863) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine
PubChem CID116615863
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine
SMILESNc1cccc2c1ccn2CCSC(F)(F)F
InChIInChI=1S/C11H11F3N2S/c12-11(13,14)17-7-6-16-5-4-8-9(15)2-1-3-10(8)16/h1-5H,6-7,15H2
InChIKeyQGMXZWKFFUDIJP-UHFFFAOYSA-N
XLogP3.48
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine (CID 116615863) is 1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine is Nc1cccc2c1ccn2CCSC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine?
The InChIKey is QGMXZWKFFUDIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S/c12-11(13,14)17-7-6-16-5-4-8-9(15)2-1-3-10(8)16/h1-5H,6-7,15H2.
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine?
1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine has a molecular weight of 260.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine is sourced from PubChem (CID 116615863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).