6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide

C11H22F2N2O2 — CID 106176593

IUPAC6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C11H22F2N2O2/c1-10(2,5-6-14)4-3-9(17)15-7-11(12,13)8-16/h16H,3-8,14H2,1-2H3,(H,15,17)
InChIKeyYQIVYXSDVPWSKG-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.89
Rot. Bonds8

About 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide

6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide (PubChem CID 106176593) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide
PubChem CID106176593
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC Name6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C11H22F2N2O2/c1-10(2,5-6-14)4-3-9(17)15-7-11(12,13)8-16/h16H,3-8,14H2,1-2H3,(H,15,17)
InChIKeyYQIVYXSDVPWSKG-UHFFFAOYSA-N
XLogP0.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide 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

N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-6-oxohexyl]acetamide
CID 134168398
N-[6-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]-6-oxohexyl]-2,2,2-trifluoroacetamide
CID 134168401
N-(4-ethyl-4-formyl-3-hydroxyhexyl)-2,2,2-trifluoroacetamide
CID 173331248
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(3-hydroxypropyl)hexanediamide
CID 4987372
N-(2-hydroxyethyl)-4-propyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 63128898
6-amino-4-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 64343468
6-amino-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 64350135
4-(2-aminoethyl)-N-(2-hydroxyethyl)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 64359203
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
6-amino-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 65292478
6-amino-4,4-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 65293255

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide (CID 106176593) is 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)NCC(F)(F)CO.
What is the InChIKey of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide?
The InChIKey is YQIVYXSDVPWSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-10(2,5-6-14)4-3-9(17)15-7-11(12,13)8-16/h16H,3-8,14H2,1-2H3,(H,15,17).
What are the key properties of 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide?
6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide has a molecular weight of 252.30 g/mol, XLogP of 0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylhexanamide is sourced from PubChem (CID 106176593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).