N-(2,2-difluoropropyl)-2-methylbutanamide

C8H15F2NO — CID 129227019

IUPACN-(2,2-difluoropropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(C)(F)F
InChIInChI=1S/C8H15F2NO/c1-4-6(2)7(12)11-5-8(3,9)10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyZERYVAQKRCVSPI-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.80
Rot. Bonds4

About N-(2,2-difluoropropyl)-2-methylbutanamide

N-(2,2-difluoropropyl)-2-methylbutanamide (PubChem CID 129227019) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-2-methylbutanamide
PubChem CID129227019
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(2,2-difluoropropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCC(C)(F)F
InChIInChI=1S/C8H15F2NO/c1-4-6(2)7(12)11-5-8(3,9)10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyZERYVAQKRCVSPI-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2-difluoropropyl)-2-methylbutanamide 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-(2,2-difluoropropyl)-2-methylbutanamide?
The IUPAC name of N-(2,2-difluoropropyl)-2-methylbutanamide (CID 129227019) is N-(2,2-difluoropropyl)-2-methylbutanamide.
What is the SMILES notation for N-(2,2-difluoropropyl)-2-methylbutanamide?
The canonical SMILES for N-(2,2-difluoropropyl)-2-methylbutanamide is CCC(C)C(=O)NCC(C)(F)F.
What is the InChIKey of N-(2,2-difluoropropyl)-2-methylbutanamide?
The InChIKey is ZERYVAQKRCVSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-4-6(2)7(12)11-5-8(3,9)10/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(2,2-difluoropropyl)-2-methylbutanamide?
N-(2,2-difluoropropyl)-2-methylbutanamide has a molecular weight of 179.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-2-methylbutanamide is sourced from PubChem (CID 129227019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).