N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide

C8H15F2NO — CID 167316537

IUPACN-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(CF)CF
InChIInChI=1S/C8H15F2NO/c1-6(2)7(12)11-8(3,4-9)5-10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyDOUQGAJYXKIWAF-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.46
Rot. Bonds4

About N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide

N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide (PubChem CID 167316537) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide
PubChem CID167316537
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(CF)CF
InChIInChI=1S/C8H15F2NO/c1-6(2)7(12)11-8(3,4-9)5-10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyDOUQGAJYXKIWAF-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide?
The IUPAC name of N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide (CID 167316537) is N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide is CC(C)C(=O)NC(C)(CF)CF.
What is the InChIKey of N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide?
The InChIKey is DOUQGAJYXKIWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)7(12)11-8(3,4-9)5-10/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide?
N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide has a molecular weight of 179.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-difluoro-2-methylpropan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 167316537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).