3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole

C19H16F3N — CID 71739817

IUPAC3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole
SMILESCC1(C)C(/C=C/c2cccc(C(F)(F)F)c2)=Nc2ccccc21
InChIInChI=1S/C19H16F3N/c1-18(2)15-8-3-4-9-16(15)23-17(18)11-10-13-6-5-7-14(12-13)19(20,21)22/h3-12H,1-2H3/b11-10+
InChIKeyPMWAGFALGSYUIT-ZHACJKMWSA-N
MW315.34 g/mol
LogP5.78
Rot. Bonds2

About 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole

3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole (PubChem CID 71739817) has the molecular formula C19H16F3N and a molecular weight of 315.34 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole.

Molecular Properties

Compound Name3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole
PubChem CID71739817
Molecular FormulaC19H16F3N
Molecular Weight315.34 g/mol
Exact Mass315.12
IUPAC Name3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole
SMILESCC1(C)C(/C=C/c2cccc(C(F)(F)F)c2)=Nc2ccccc21
InChIInChI=1S/C19H16F3N/c1-18(2)15-8-3-4-9-16(15)23-17(18)11-10-13-6-5-7-14(12-13)19(20,21)22/h3-12H,1-2H3/b11-10+
InChIKeyPMWAGFALGSYUIT-ZHACJKMWSA-N
XLogP5.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.34
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]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 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole?
The IUPAC name of 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole (CID 71739817) is 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole.
What is the SMILES notation for 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole?
The canonical SMILES for 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole is CC1(C)C(/C=C/c2cccc(C(F)(F)F)c2)=Nc2ccccc21.
What is the InChIKey of 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole?
The InChIKey is PMWAGFALGSYUIT-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16F3N/c1-18(2)15-8-3-4-9-16(15)23-17(18)11-10-13-6-5-7-14(12-13)19(20,21)22/h3-12H,1-2H3/b11-10+.
What are the key properties of 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole?
3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole has a molecular weight of 315.34 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]indole is sourced from PubChem (CID 71739817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).