2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile

C17H11F3N2 — CID 71421585

IUPAC2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile
SMILESCc1c(C#N)c2cccc(C(F)(F)F)c2n1-c1ccccc1
InChIInChI=1S/C17H11F3N2/c1-11-14(10-21)13-8-5-9-15(17(18,19)20)16(13)22(11)12-6-3-2-4-7-12/h2-9H,1H3
InChIKeyJWKUJYKDFQTQQK-UHFFFAOYSA-N
MW300.28 g/mol
LogP4.83
Rot. Bonds1

About 2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile

2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 71421585) has the molecular formula C17H11F3N2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile
PubChem CID71421585
Molecular FormulaC17H11F3N2
Molecular Weight300.28 g/mol
Exact Mass300.09
IUPAC Name2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile
SMILESCc1c(C#N)c2cccc(C(F)(F)F)c2n1-c1ccccc1
InChIInChI=1S/C17H11F3N2/c1-11-14(10-21)13-8-5-9-15(17(18,19)20)16(13)22(11)12-6-3-2-4-7-12/h2-9H,1H3
InChIKeyJWKUJYKDFQTQQK-UHFFFAOYSA-N
XLogP4.83
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile?
The IUPAC name of 2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile (CID 71421585) is 2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile.
What is the SMILES notation for 2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile?
The canonical SMILES for 2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile is Cc1c(C#N)c2cccc(C(F)(F)F)c2n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile?
The InChIKey is JWKUJYKDFQTQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2/c1-11-14(10-21)13-8-5-9-15(17(18,19)20)16(13)22(11)12-6-3-2-4-7-12/h2-9H,1H3.
What are the key properties of 2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile?
2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 300.28 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-7-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 71421585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).