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

C10H15F3N2O — CID 114291331

IUPAC2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)C(C)(C#N)CC
InChIInChI=1S/C10H15F3N2O/c1-4-9(3,6-14)8(16)15(5-2)7-10(11,12)13/h4-5,7H2,1-3H3
InChIKeyJQOLGSUWWHXMHN-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.34
Rot. Bonds4

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

2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 114291331) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID114291331
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCN(CC(F)(F)F)C(=O)C(C)(C#N)CC
InChIInChI=1S/C10H15F3N2O/c1-4-9(3,6-14)8(16)15(5-2)7-10(11,12)13/h4-5,7H2,1-3H3
InChIKeyJQOLGSUWWHXMHN-UHFFFAOYSA-N
XLogP2.34
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 114291331) is 2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is CCN(CC(F)(F)F)C(=O)C(C)(C#N)CC.
What is the InChIKey of 2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is JQOLGSUWWHXMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-4-9(3,6-14)8(16)15(5-2)7-10(11,12)13/h4-5,7H2,1-3H3.
What are the key properties of 2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide?
2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 236.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 114291331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).