N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide

C9H16F2N2O — CID 103516127

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
SMILESCN(C)C1(CNC(=O)C(F)F)CCC1
InChIInChI=1S/C9H16F2N2O/c1-13(2)9(4-3-5-9)6-12-8(14)7(10)11/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyWJWRJUGGXVNVHG-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.85
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide (PubChem CID 103516127) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
PubChem CID103516127
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide
SMILESCN(C)C1(CNC(=O)C(F)F)CCC1
InChIInChI=1S/C9H16F2N2O/c1-13(2)9(4-3-5-9)6-12-8(14)7(10)11/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyWJWRJUGGXVNVHG-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(dimethylamino)cyclobutyl]methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499360
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
CID 105417065
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361
2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide
CID 130666100
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethylpropanamide
CID 105420633
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654
2,2-difluoro-N-[(1-methylcyclopentyl)methyl]acetamide
CID 103515473

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide (CID 103516127) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide is CN(C)C1(CNC(=O)C(F)F)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide?
The InChIKey is WJWRJUGGXVNVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-13(2)9(4-3-5-9)6-12-8(14)7(10)11/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide has a molecular weight of 206.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103516127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).