N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide

C6H4F7NO2 — CID 118933717

IUPACN-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCC(=O)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F7NO2/c1-2(15)14-3(16)4(7,8)5(9,10)6(11,12)13/h1H3,(H,14,15,16)
InChIKeyXJVIEBMWEHFPIE-UHFFFAOYSA-N
MW255.09 g/mol
LogP1.48
Rot. Bonds2

About N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide

N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 118933717) has the molecular formula C6H4F7NO2 and a molecular weight of 255.09 g/mol. Its IUPAC name is N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID118933717
Molecular FormulaC6H4F7NO2
Molecular Weight255.09 g/mol
Exact Mass255.01
IUPAC NameN-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCC(=O)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F7NO2/c1-2(15)14-3(16)4(7,8)5(9,10)6(11,12)13/h1H3,(H,14,15,16)
InChIKeyXJVIEBMWEHFPIE-UHFFFAOYSA-N
XLogP1.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide (CID 118933717) is N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide is CC(=O)NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is XJVIEBMWEHFPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F7NO2/c1-2(15)14-3(16)4(7,8)5(9,10)6(11,12)13/h1H3,(H,14,15,16).
What are the key properties of N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide?
N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 255.09 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 118933717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).