2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide

C12H4F14N2O2 — CID 91752924

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide
SMILESO=C(N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)n1cccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H4F14N2O2/c13-7(14,9(17,18)11(21,22)23)5(29)28(27-3-1-2-4-27)6(30)8(15,16)10(19,20)12(24,25)26/h1-4H
InChIKeyACNNMXKAXMYNEL-UHFFFAOYSA-N
MW474.15 g/mol
LogP4.15
Rot. Bonds5

About 2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide (PubChem CID 91752924) has the molecular formula C12H4F14N2O2 and a molecular weight of 474.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide
PubChem CID91752924
Molecular FormulaC12H4F14N2O2
Molecular Weight474.15 g/mol
Exact Mass474.00
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide
SMILESO=C(N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)n1cccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H4F14N2O2/c13-7(14,9(17,18)11(21,22)23)5(29)28(27-3-1-2-4-27)6(30)8(15,16)10(19,20)12(24,25)26/h1-4H
InChIKeyACNNMXKAXMYNEL-UHFFFAOYSA-N
XLogP4.15
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.15
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Trifluoroacetyl)pyrrole
CID 23352308
1-(Pentafluoropropionyl)pyrrole
CID 23352309
[1,1'-Bipyrrole]-2,5-dione
CID 330194
1-(Heptafluorobutyryl)pyrrole
CID 91700514
2,2-difluoro-N-pyrrol-1-ylacetamide
CID 130778264
3,3,3-Trifluoro-1-pyrrol-1-ylpropan-1-one
CID 175217695
N-(2-azetidinonyl) pyrrol
CID 138857984
N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 84594972
2-bromo-2,2-difluoro-N-pyrrol-1-ylacetamide
CID 130678632
3,3-difluoro-N-pyrrol-1-ylbutanamide
CID 130685640
3,3,3-trifluoro-N-pyrrol-1-ylpropanamide
CID 130708172
2,2,2-trifluoro-N-pyrrol-1-ylacetamide
CID 130742072

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide (CID 91752924) is 2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide is O=C(N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)n1cccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide?
The InChIKey is ACNNMXKAXMYNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F14N2O2/c13-7(14,9(17,18)11(21,22)23)5(29)28(27-3-1-2-4-27)6(30)8(15,16)10(19,20)12(24,25)26/h1-4H.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide has a molecular weight of 474.15 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-pyrrol-1-ylbutanamide is sourced from PubChem (CID 91752924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).