6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole

C17H14F3N — CID 116546655

IUPAC6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
SMILESCc1ccc2ccn(Cc3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C17H14F3N/c1-12-2-5-14-8-9-21(16(14)10-12)11-13-3-6-15(7-4-13)17(18,19)20/h2-10H,11H2,1H3
InChIKeyZHOBPSHBIBTFGP-UHFFFAOYSA-N
MW289.30 g/mol
LogP5.02
Rot. Bonds2

About 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole

6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole (PubChem CID 116546655) has the molecular formula C17H14F3N and a molecular weight of 289.30 g/mol. Its IUPAC name is 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole.

Molecular Properties

Compound Name6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
PubChem CID116546655
Molecular FormulaC17H14F3N
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC Name6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
SMILESCc1ccc2ccn(Cc3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C17H14F3N/c1-12-2-5-14-8-9-21(16(14)10-12)11-13-3-6-15(7-4-13)17(18,19)20/h2-10H,11H2,1H3
InChIKeyZHOBPSHBIBTFGP-UHFFFAOYSA-N
XLogP5.02
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.30
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole 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 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
The IUPAC name of 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole (CID 116546655) is 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole.
What is the SMILES notation for 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
The canonical SMILES for 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole is Cc1ccc2ccn(Cc3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
The InChIKey is ZHOBPSHBIBTFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N/c1-12-2-5-14-8-9-21(16(14)10-12)11-13-3-6-15(7-4-13)17(18,19)20/h2-10H,11H2,1H3.
What are the key properties of 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole has a molecular weight of 289.30 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole is sourced from PubChem (CID 116546655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).