N-but-3-yn-2-yl-2,2-difluoroacetamide

C6H7F2NO — CID 103514717

IUPACN-but-3-yn-2-yl-2,2-difluoroacetamide
SMILESC#CC(C)NC(=O)C(F)F
InChIInChI=1S/C6H7F2NO/c1-3-4(2)9-6(10)5(7)8/h1,4-5H,2H3,(H,9,10)
InChIKeyWLTBTZVRUGKNEA-UHFFFAOYSA-N
MW147.12 g/mol
LogP0.39
Rot. Bonds2

About N-but-3-yn-2-yl-2,2-difluoroacetamide

N-but-3-yn-2-yl-2,2-difluoroacetamide (PubChem CID 103514717) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2,2-difluoroacetamide
PubChem CID103514717
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC NameN-but-3-yn-2-yl-2,2-difluoroacetamide
SMILESC#CC(C)NC(=O)C(F)F
InChIInChI=1S/C6H7F2NO/c1-3-4(2)9-6(10)5(7)8/h1,4-5H,2H3,(H,9,10)
InChIKeyWLTBTZVRUGKNEA-UHFFFAOYSA-N
XLogP0.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-but-3-yn-2-yl-2-hydroxypropanamide
CID 126994434
2-amino-N-but-3-yn-2-ylpropanamide
CID 114417070
N-but-3-yn-2-yl-2-(methylamino)propanamide
CID 114417110
2-bromo-N-but-3-yn-2-yl-3-methylbutanamide
CID 114415729
(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide
CID 104921675
N-but-3-yn-2-yl-2,2,2-trifluoroacetamide
CID 14025442
(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
CID 104921655
1-but-3-yn-2-yl-3-(3-methylbutan-2-yl)urea
CID 130891248
N,N'-bis(but-3-yn-2-yl)decanediamide
CID 142746556
N-(1-cyano-2-methylpropyl)-2,2-difluoroacetamide
CID 103513773
2,2-difluoro-N-(5-hydroxypentan-2-yl)acetamide
CID 103513967
(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide
CID 104921668

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2,2-difluoroacetamide?
The IUPAC name of N-but-3-yn-2-yl-2,2-difluoroacetamide (CID 103514717) is N-but-3-yn-2-yl-2,2-difluoroacetamide.
What is the SMILES notation for N-but-3-yn-2-yl-2,2-difluoroacetamide?
The canonical SMILES for N-but-3-yn-2-yl-2,2-difluoroacetamide is C#CC(C)NC(=O)C(F)F.
What is the InChIKey of N-but-3-yn-2-yl-2,2-difluoroacetamide?
The InChIKey is WLTBTZVRUGKNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c1-3-4(2)9-6(10)5(7)8/h1,4-5H,2H3,(H,9,10).
What are the key properties of N-but-3-yn-2-yl-2,2-difluoroacetamide?
N-but-3-yn-2-yl-2,2-difluoroacetamide has a molecular weight of 147.12 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2,2-difluoroacetamide is sourced from PubChem (CID 103514717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).