N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide

C8H13F2NO — CID 155155046

IUPACN-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide
SMILESCC(=O)NCC1(C)CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-6(12)11-5-7(2)3-8(9,10)4-7/h3-5H2,1-2H3,(H,11,12)
InChIKeyOCXLMBXXAAUUPF-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.56
Rot. Bonds2

About N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide

N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide (PubChem CID 155155046) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide
PubChem CID155155046
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide
SMILESCC(=O)NCC1(C)CC(F)(F)C1
InChIInChI=1S/C8H13F2NO/c1-6(12)11-5-7(2)3-8(9,10)4-7/h3-5H2,1-2H3,(H,11,12)
InChIKeyOCXLMBXXAAUUPF-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide 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-(4-Methylpentyl)-2,2,2-trifluoroacetamide
CID 62727488
(1R)-N-(cyclobutylmethyl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide
CID 164636299
Acetamide, N-(cyclobutylmethyl)-2,2,2-trifluoro-
CID 57982585
N-(2,2-difluoro-3,3-dimethylbutyl)acetamide
CID 58044587
N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide
CID 58090057
4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 59169953
3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59613586
2,2,2-trifluoro-N-(5-methylhexyl)acetamide
CID 79002796
N-(2,2-dimethylbutyl)-2,2,2-trifluoroacetamide
CID 91360587
N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide
CID 115190375
1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 118361886
N-({bicyclo[1.1.1]pentan-1-yl}methyl)-2,2,2-trifluoroacetamide
CID 118941200

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide?
The IUPAC name of N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide (CID 155155046) is N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide.
What is the SMILES notation for N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide?
The canonical SMILES for N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide is CC(=O)NCC1(C)CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide?
The InChIKey is OCXLMBXXAAUUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-6(12)11-5-7(2)3-8(9,10)4-7/h3-5H2,1-2H3,(H,11,12).
What are the key properties of N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide?
N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide has a molecular weight of 177.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 155155046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).