2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile

C11H14F3N3O2 — CID 65256375

IUPAC2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile
SMILESCC(C)(C#N)CCN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C11H14F3N3O2/c1-9(2,6-15)4-5-17-7(18)10(3,11(12,13)14)16-8(17)19/h4-5H2,1-3H3,(H,16,19)
InChIKeyDGTOXRNHGFCTPM-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.80
Rot. Bonds3

About 2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile

2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile (PubChem CID 65256375) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile
PubChem CID65256375
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile
SMILESCC(C)(C#N)CCN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C11H14F3N3O2/c1-9(2,6-15)4-5-17-7(18)10(3,11(12,13)14)16-8(17)19/h4-5H2,1-3H3,(H,16,19)
InChIKeyDGTOXRNHGFCTPM-UHFFFAOYSA-N
XLogP1.80
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile?
The IUPAC name of 2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile (CID 65256375) is 2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile is CC(C)(C#N)CCN1C(=O)NC(C)(C(F)(F)F)C1=O.
What is the InChIKey of 2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile?
The InChIKey is DGTOXRNHGFCTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-9(2,6-15)4-5-17-7(18)10(3,11(12,13)14)16-8(17)19/h4-5H2,1-3H3,(H,16,19).
What are the key properties of 2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile?
2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile has a molecular weight of 277.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanenitrile is sourced from PubChem (CID 65256375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).