2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile

C19H15F3N2O — CID 156558710

IUPAC2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile
SMILESCc1ccc2c(c1)C(C)(C)C(=O)N2c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O/c1-11-4-7-16-15(8-11)18(2,3)17(25)24(16)13-6-5-12(10-23)14(9-13)19(20,21)22/h4-9H,1-3H3
InChIKeyZUEIXADNMKFTIJ-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.84
Rot. Bonds1

About 2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile

2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile (PubChem CID 156558710) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile
PubChem CID156558710
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile
SMILESCc1ccc2c(c1)C(C)(C)C(=O)N2c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O/c1-11-4-7-16-15(8-11)18(2,3)17(25)24(16)13-6-5-12(10-23)14(9-13)19(20,21)22/h4-9H,1-3H3
InChIKeyZUEIXADNMKFTIJ-UHFFFAOYSA-N
XLogP4.84
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,3,4,4-tetramethyl-2,5-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 18409445
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 11162285
4-[4,4-dimethyl-3-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile;ethane
CID 143332713
4-methyl-2-(trifluoromethyl)benzonitrile
CID 2775597
4-(8,8-dimethyl-2,4-dioxo-7,9-dioxa-1,3-diazaspiro[4.5]decan-3-yl)-2-(trifluoromethyl)benzonitrile
CID 139685194
4-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)-2-chlorobenzonitrile
CID 156558719
4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(trifluoromethyl)benzonitrile
CID 18704219
4-[4-(hydroxymethyl)-3-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 143955967
4-(5,6-dihydroxy-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl)-2-(trifluoromethyl)benzonitrile
CID 10200756
4-[(3aR,5S,6S,7aS)-5,6-dihydroxy-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-2-(trifluoromethyl)benzonitrile
CID 10194233
4-[(3aS,4S,5R,6S,7R,7aR)-5,6-dihydroxy-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-2-(trifluoromethyl)benzonitrile
CID 23394937
4-(8-methyl-2-methylidene-4-oxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-(trifluoromethyl)benzonitrile
CID 139310735

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile?
The IUPAC name of 2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile (CID 156558710) is 2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile.
What is the SMILES notation for 2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile?
The canonical SMILES for 2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile is Cc1ccc2c(c1)C(C)(C)C(=O)N2c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile?
The InChIKey is ZUEIXADNMKFTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-11-4-7-16-15(8-11)18(2,3)17(25)24(16)13-6-5-12(10-23)14(9-13)19(20,21)22/h4-9H,1-3H3.
What are the key properties of 2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile?
2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile has a molecular weight of 344.34 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-(3,3,5-trimethyl-2-oxoindol-1-yl)benzonitrile is sourced from PubChem (CID 156558710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).