2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide

C11H16F7NO — CID 4686073

IUPAC2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide
SMILESCCCCCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F7NO/c1-3-4-5-6-7(2)19-8(20)9(12,13)10(14,15)11(16,17)18/h7H,3-6H2,1-2H3,(H,19,20)
InChIKeyPFQQFKZQVVSAND-UHFFFAOYSA-N
MW311.24 g/mol
LogP3.90
Rot. Bonds7

About 2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide (PubChem CID 4686073) has the molecular formula C11H16F7NO and a molecular weight of 311.24 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide
PubChem CID4686073
Molecular FormulaC11H16F7NO
Molecular Weight311.24 g/mol
Exact Mass311.11
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide
SMILESCCCCCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F7NO/c1-3-4-5-6-7(2)19-8(20)9(12,13)10(14,15)11(16,17)18/h7H,3-6H2,1-2H3,(H,19,20)
InChIKeyPFQQFKZQVVSAND-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-heptan-2-ylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide (CID 4686073) is 2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide is CCCCCC(C)NC(=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-heptan-2-ylbutanamide?
The InChIKey is PFQQFKZQVVSAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F7NO/c1-3-4-5-6-7(2)19-8(20)9(12,13)10(14,15)11(16,17)18/h7H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide has a molecular weight of 311.24 g/mol, XLogP of 3.90, 7 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-heptafluoro-N-heptan-2-ylbutanamide is sourced from PubChem (CID 4686073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).