2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide

C5H2F7NO2 — CID 57473814

IUPAC2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide
SMILESO=CNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F7NO2/c6-3(7,2(15)13-1-14)4(8,9)5(10,11)12/h1H,(H,13,14,15)
InChIKeyIESBUUOJIZZHCY-UHFFFAOYSA-N
MW241.06 g/mol
LogP1.09
Rot. Bonds3

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

2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide (PubChem CID 57473814) has the molecular formula C5H2F7NO2 and a molecular weight of 241.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide
PubChem CID57473814
Molecular FormulaC5H2F7NO2
Molecular Weight241.06 g/mol
Exact Mass241.00
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide
SMILESO=CNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F7NO2/c6-3(7,2(15)13-1-14)4(8,9)5(10,11)12/h1H,(H,13,14,15)
InChIKeyIESBUUOJIZZHCY-UHFFFAOYSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 118933717
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N'-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)nonanehydrazide
CID 3089752
2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
CID 3089717
2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
CID 3089857
1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluorononane-4,6-dione
CID 617328
2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
CID 614782
2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide
CID 141040255
ethyl (2Z,4Z)-6,6,7,7,8,8,8-heptafluoro-2-formamido-5-hydroxyocta-2,4-dienoate
CID 71501570
2,2,3,3,4,4,4-heptafluoro-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 5147697
2-chloro-3,3,4,4,5,5,5-heptafluoro-1-iodopent-1-ene
CID 173142416
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 573411

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide (CID 57473814) is 2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide is O=CNC(=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-formylbutanamide?
The InChIKey is IESBUUOJIZZHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F7NO2/c6-3(7,2(15)13-1-14)4(8,9)5(10,11)12/h1H,(H,13,14,15).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide has a molecular weight of 241.06 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-formylbutanamide is sourced from PubChem (CID 57473814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).