N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide

C8H12F2N2O — CID 131128232

IUPACN-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide
SMILESCC(C)C(C#N)NC(=O)C(C)(F)F
InChIInChI=1S/C8H12F2N2O/c1-5(2)6(4-11)12-7(13)8(3,9)10/h5-6H,1-3H3,(H,12,13)
InChIKeyLXCBKIISZCPYSV-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.31
Rot. Bonds3

About N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide

N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide (PubChem CID 131128232) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide
PubChem CID131128232
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC NameN-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide
SMILESCC(C)C(C#N)NC(=O)C(C)(F)F
InChIInChI=1S/C8H12F2N2O/c1-5(2)6(4-11)12-7(13)8(3,9)10/h5-6H,1-3H3,(H,12,13)
InChIKeyLXCBKIISZCPYSV-UHFFFAOYSA-N
XLogP1.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide (CID 131128232) is N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide is CC(C)C(C#N)NC(=O)C(C)(F)F.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide?
The InChIKey is LXCBKIISZCPYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5(2)6(4-11)12-7(13)8(3,9)10/h5-6H,1-3H3,(H,12,13).
What are the key properties of N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide?
N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide has a molecular weight of 190.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-2,2-difluoropropanamide is sourced from PubChem (CID 131128232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).