N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide

C9H17F2NO — CID 130885149

IUPACN-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide
SMILESCC(NC(=O)C(C)(F)F)C(C)(C)C
InChIInChI=1S/C9H17F2NO/c1-6(8(2,3)4)12-7(13)9(5,10)11/h6H,1-5H3,(H,12,13)
InChIKeyUGWUTSIDWZRRBH-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.19
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide

N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide (PubChem CID 130885149) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide
PubChem CID130885149
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide
SMILESCC(NC(=O)C(C)(F)F)C(C)(C)C
InChIInChI=1S/C9H17F2NO/c1-6(8(2,3)4)12-7(13)9(5,10)11/h6H,1-5H3,(H,12,13)
InChIKeyUGWUTSIDWZRRBH-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide 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-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide (CID 130885149) is N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide is CC(NC(=O)C(C)(F)F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide?
The InChIKey is UGWUTSIDWZRRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(8(2,3)4)12-7(13)9(5,10)11/h6H,1-5H3,(H,12,13).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide?
N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide has a molecular weight of 193.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2,2-difluoropropanamide is sourced from PubChem (CID 130885149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).