2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide

C11H17F3N2O — CID 114291334

IUPAC2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(C)(C#N)CC
InChIInChI=1S/C11H17F3N2O/c1-4-6-16(8-11(12,13)14)9(17)10(3,5-2)7-15/h4-6,8H2,1-3H3
InChIKeyZKOVAEAJZBOOTJ-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.73
Rot. Bonds5

About 2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide

2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 114291334) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID114291334
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(C)(C#N)CC
InChIInChI=1S/C11H17F3N2O/c1-4-6-16(8-11(12,13)14)9(17)10(3,5-2)7-15/h4-6,8H2,1-3H3
InChIKeyZKOVAEAJZBOOTJ-UHFFFAOYSA-N
XLogP2.73
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide (CID 114291334) is 2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide is CCCN(CC(F)(F)F)C(=O)C(C)(C#N)CC.
What is the InChIKey of 2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is ZKOVAEAJZBOOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-4-6-16(8-11(12,13)14)9(17)10(3,5-2)7-15/h4-6,8H2,1-3H3.
What are the key properties of 2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide?
2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 250.26 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 114291334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).