2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide

C11H18F2N2O — CID 115407139

IUPAC2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC(F)F
InChIInChI=1S/C11H18F2N2O/c1-3-5-11(8-14,6-4-2)10(16)15-7-9(12)13/h9H,3-7H2,1-2H3,(H,15,16)
InChIKeyMMYBZWQNMNJYHV-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.48
Rot. Bonds7

About 2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide

2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide (PubChem CID 115407139) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide
PubChem CID115407139
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC(F)F
InChIInChI=1S/C11H18F2N2O/c1-3-5-11(8-14,6-4-2)10(16)15-7-9(12)13/h9H,3-7H2,1-2H3,(H,15,16)
InChIKeyMMYBZWQNMNJYHV-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide (CID 115407139) is 2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCC(F)F.
What is the InChIKey of 2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide?
The InChIKey is MMYBZWQNMNJYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-3-5-11(8-14,6-4-2)10(16)15-7-9(12)13/h9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide?
2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide has a molecular weight of 232.27 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2-difluoroethyl)-2-propylpentanamide is sourced from PubChem (CID 115407139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).