1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole

C20H17F3N2 — CID 78320888

IUPAC1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole
SMILESCn1cc(C(c2cn(C)c3ccccc23)C(F)(F)F)c2ccccc21
InChIInChI=1S/C20H17F3N2/c1-24-11-15(13-7-3-5-9-17(13)24)19(20(21,22)23)16-12-25(2)18-10-6-4-8-14(16)18/h3-12,19H,1-2H3
InChIKeyRIDVLFVMQKNROW-UHFFFAOYSA-N
MW342.36 g/mol
LogP5.36
Rot. Bonds2

About 1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole

1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole (PubChem CID 78320888) has the molecular formula C20H17F3N2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole.

Molecular Properties

Compound Name1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole
PubChem CID78320888
Molecular FormulaC20H17F3N2
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole
SMILESCn1cc(C(c2cn(C)c3ccccc23)C(F)(F)F)c2ccccc21
InChIInChI=1S/C20H17F3N2/c1-24-11-15(13-7-3-5-9-17(13)24)19(20(21,22)23)16-12-25(2)18-10-6-4-8-14(16)18/h3-12,19H,1-2H3
InChIKeyRIDVLFVMQKNROW-UHFFFAOYSA-N
XLogP5.36
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.36
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole?
The IUPAC name of 1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole (CID 78320888) is 1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole.
What is the SMILES notation for 1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole?
The canonical SMILES for 1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole is Cn1cc(C(c2cn(C)c3ccccc23)C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole?
The InChIKey is RIDVLFVMQKNROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2/c1-24-11-15(13-7-3-5-9-17(13)24)19(20(21,22)23)16-12-25(2)18-10-6-4-8-14(16)18/h3-12,19H,1-2H3.
What are the key properties of 1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole?
1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole has a molecular weight of 342.36 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole is sourced from PubChem (CID 78320888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).