N-(2,2-difluorobutyl)acetamide

C6H11F2NO — CID 88583149

IUPACN-(2,2-difluorobutyl)acetamide
SMILESCCC(F)(F)CNC(C)=O
InChIInChI=1S/C6H11F2NO/c1-3-6(7,8)4-9-5(2)10/h3-4H2,1-2H3,(H,9,10)
InChIKeyJQASAZGLLVETDI-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.17
Rot. Bonds3

About N-(2,2-difluorobutyl)acetamide

N-(2,2-difluorobutyl)acetamide (PubChem CID 88583149) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)acetamide
PubChem CID88583149
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC NameN-(2,2-difluorobutyl)acetamide
SMILESCCC(F)(F)CNC(C)=O
InChIInChI=1S/C6H11F2NO/c1-3-6(7,8)4-9-5(2)10/h3-4H2,1-2H3,(H,9,10)
InChIKeyJQASAZGLLVETDI-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)acetamide?
The IUPAC name of N-(2,2-difluorobutyl)acetamide (CID 88583149) is N-(2,2-difluorobutyl)acetamide.
What is the SMILES notation for N-(2,2-difluorobutyl)acetamide?
The canonical SMILES for N-(2,2-difluorobutyl)acetamide is CCC(F)(F)CNC(C)=O.
What is the InChIKey of N-(2,2-difluorobutyl)acetamide?
The InChIKey is JQASAZGLLVETDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-3-6(7,8)4-9-5(2)10/h3-4H2,1-2H3,(H,9,10).
What are the key properties of N-(2,2-difluorobutyl)acetamide?
N-(2,2-difluorobutyl)acetamide has a molecular weight of 151.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)acetamide is sourced from PubChem (CID 88583149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).