1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole

C20H20F3N — CID 135062345

IUPAC1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole
SMILESCCC(C)(C)n1c(-c2ccc(C(F)(F)F)cc2)cc2ccccc21
InChIInChI=1S/C20H20F3N/c1-4-19(2,3)24-17-8-6-5-7-15(17)13-18(24)14-9-11-16(12-10-14)20(21,22)23/h5-13H,4H2,1-3H3
InChIKeyTYZPKAVGSDXCFR-UHFFFAOYSA-N
MW331.38 g/mol
LogP6.47
Rot. Bonds3

About 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole

1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole (PubChem CID 135062345) has the molecular formula C20H20F3N and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole
PubChem CID135062345
Molecular FormulaC20H20F3N
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole
SMILESCCC(C)(C)n1c(-c2ccc(C(F)(F)F)cc2)cc2ccccc21
InChIInChI=1S/C20H20F3N/c1-4-19(2,3)24-17-8-6-5-7-15(17)13-18(24)14-9-11-16(12-10-14)20(21,22)23/h5-13H,4H2,1-3H3
InChIKeyTYZPKAVGSDXCFR-UHFFFAOYSA-N
XLogP6.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.38
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole with MolForge

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

Launch Full Analysis

Related Compounds

Iprindole
CID 21722
2-Phenylindole
CID 13698
Mebhydrolin
CID 22530
Avn-101
CID 42631003
N-Vinylcarbazole
CID 15143
1-Methyl-2-phenylindole
CID 77095
2-ethyl-9H-carbazole
CID 138537
N-ethyl carbazole
CID 6836
2-Trifluoromethyl-9H-Carbazole
CID 12169809
2-(4-methylphenyl)-1H-indole
CID 292599
N-Methylcarbazole
CID 15142
9-Phenylcarbazole
CID 70851

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole (CID 135062345) is 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole is CCC(C)(C)n1c(-c2ccc(C(F)(F)F)cc2)cc2ccccc21.
What is the InChIKey of 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole?
The InChIKey is TYZPKAVGSDXCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N/c1-4-19(2,3)24-17-8-6-5-7-15(17)13-18(24)14-9-11-16(12-10-14)20(21,22)23/h5-13H,4H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole?
1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole has a molecular weight of 331.38 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 135062345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).