2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide

C10H15F3N2O — CID 114291615

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

About 2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide

2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide (PubChem CID 114291615) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide.

Molecular Properties

Compound Name2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
PubChem CID114291615
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCCC(C)(C#N)C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-4-9(2,7-14)8(16)15(3)6-5-10(11,12)13/h4-6H2,1-3H3
InChIKeyIBDWTXPJPYABHX-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,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide?
The IUPAC name of 2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide (CID 114291615) is 2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide.
What is the SMILES notation for 2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide?
The canonical SMILES for 2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide is CCC(C)(C#N)C(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide?
The InChIKey is IBDWTXPJPYABHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-4-9(2,7-14)8(16)15(3)6-5-10(11,12)13/h4-6H2,1-3H3.
What are the key properties of 2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide?
2-cyano-N,2-dimethyl-N-(3,3,3-trifluoropropyl)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,2-dimethyl-N-(3,3,3-trifluoropropyl)butanamide is sourced from PubChem (CID 114291615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).