2,2,3,3,4,4,4-heptafluorobutanamide

C4H2F7NO — CID 12626

IUPAC2,2,3,3,4,4,4-heptafluorobutanamide
SMILESNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13)
InChIKeyFOBJABJCODOMEO-UHFFFAOYSA-N
MW213.05 g/mol
LogP1.30
Rot. Bonds2

About 2,2,3,3,4,4,4-heptafluorobutanamide

2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 12626) has the molecular formula C4H2F7NO and a molecular weight of 213.05 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID12626
Molecular FormulaC4H2F7NO
Molecular Weight213.05 g/mol
Exact Mass213.00
IUPAC Name2,2,3,3,4,4,4-heptafluorobutanamide
SMILESNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13)
InChIKeyFOBJABJCODOMEO-UHFFFAOYSA-N
XLogP1.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.05
LogP ≤ 51.30
H-Bond Donors ≤ 51
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-heptafluorobutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluorobutanamide (CID 12626) is 2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluorobutanamide is NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is FOBJABJCODOMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13).
What are the key properties of 2,2,3,3,4,4,4-heptafluorobutanamide?
2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 213.05 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 12626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).