2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide

C6H6F7NO — CID 19868297

IUPAC2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide
SMILESCN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NO/c1-14(2)3(15)4(7,8)5(9,10)6(11,12)13/h1-2H3
InChIKeyHIZUYBUOEFGDFO-UHFFFAOYSA-N
MW241.11 g/mol
LogP1.91
Rot. Bonds2

About 2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide

2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide (PubChem CID 19868297) has the molecular formula C6H6F7NO and a molecular weight of 241.11 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide
PubChem CID19868297
Molecular FormulaC6H6F7NO
Molecular Weight241.11 g/mol
Exact Mass241.03
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide
SMILESCN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NO/c1-14(2)3(15)4(7,8)5(9,10)6(11,12)13/h1-2H3
InChIKeyHIZUYBUOEFGDFO-UHFFFAOYSA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide (CID 19868297) is 2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide is CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide?
The InChIKey is HIZUYBUOEFGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7NO/c1-14(2)3(15)4(7,8)5(9,10)6(11,12)13/h1-2H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide has a molecular weight of 241.11 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N,N-dimethylbutanamide is sourced from PubChem (CID 19868297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).