5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine

C13H10F6N2 — CID 144987824

IUPAC5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine
SMILESC/C(=C\c1c(N)[nH]c2ccc(C(F)(F)F)cc12)C(F)(F)F
InChIInChI=1S/C13H10F6N2/c1-6(12(14,15)16)4-9-8-5-7(13(17,18)19)2-3-10(8)21-11(9)20/h2-5,21H,20H2,1H3/b6-4+
InChIKeyFBGHJTLZNVGMHT-GQCTYLIASA-N
MW308.23 g/mol
LogP4.73
Rot. Bonds1

About 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine

5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine (PubChem CID 144987824) has the molecular formula C13H10F6N2 and a molecular weight of 308.23 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine
PubChem CID144987824
Molecular FormulaC13H10F6N2
Molecular Weight308.23 g/mol
Exact Mass308.07
IUPAC Name5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine
SMILESC/C(=C\c1c(N)[nH]c2ccc(C(F)(F)F)cc12)C(F)(F)F
InChIInChI=1S/C13H10F6N2/c1-6(12(14,15)16)4-9-8-5-7(13(17,18)19)2-3-10(8)21-11(9)20/h2-5,21H,20H2,1H3/b6-4+
InChIKeyFBGHJTLZNVGMHT-GQCTYLIASA-N
XLogP4.73
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine?
The IUPAC name of 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine (CID 144987824) is 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine.
What is the SMILES notation for 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine?
The canonical SMILES for 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine is C/C(=C\c1c(N)[nH]c2ccc(C(F)(F)F)cc12)C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine?
The InChIKey is FBGHJTLZNVGMHT-GQCTYLIASA-N. The full InChI is InChI=1S/C13H10F6N2/c1-6(12(14,15)16)4-9-8-5-7(13(17,18)19)2-3-10(8)21-11(9)20/h2-5,21H,20H2,1H3/b6-4+.
What are the key properties of 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine?
5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine has a molecular weight of 308.23 g/mol, XLogP of 4.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-1H-indol-2-amine is sourced from PubChem (CID 144987824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).