N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide

C8H15F2NO2 — CID 104858123

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H15F2NO2/c1-6(2)3-7(13)11-4-8(9,10)5-12/h6,12H,3-5H2,1-2H3,(H,11,13)
InChIKeySTPGLMHADWIMOG-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.78
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide

N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide (PubChem CID 104858123) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
PubChem CID104858123
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(F)(F)CO
InChIInChI=1S/C8H15F2NO2/c1-6(2)3-7(13)11-4-8(9,10)5-12/h6,12H,3-5H2,1-2H3,(H,11,13)
InChIKeySTPGLMHADWIMOG-UHFFFAOYSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59168914
2,2,2-trifluoro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031818
N-[3-hydroxy-3-methyl-2-(trifluoromethyl)butyl]acetamide
CID 88125183
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103723054
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103723188
N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104857086
N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857135
N-(2-fluoro-3-hydroxypropyl)-2-methylpropanamide
CID 117861078
2,2,2-trifluoro-N-[4-hydroxy-3-(hydroxymethyl)butyl]acetamide
CID 121399046
N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide
CID 122468682
2-methyl-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)propanamide
CID 132250257
N-(2,3-dihydroxypropyl)-2-fluoro-3-methyl-2-(trifluoromethyl)butanamide
CID 154972577

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide (CID 104858123) is N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide is CC(C)CC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide?
The InChIKey is STPGLMHADWIMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-6(2)3-7(13)11-4-8(9,10)5-12/h6,12H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide has a molecular weight of 195.21 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide is sourced from PubChem (CID 104858123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).