2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide

C14H8F7NO — CID 532107

IUPAC2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide
SMILESO=C(Nc1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F7NO/c15-12(16,13(17,18)14(19,20)21)11(23)22-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,22,23)
InChIKeyVERASNSGCMSQDX-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.61
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide (PubChem CID 532107) has the molecular formula C14H8F7NO and a molecular weight of 339.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide
PubChem CID532107
Molecular FormulaC14H8F7NO
Molecular Weight339.21 g/mol
Exact Mass339.05
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide
SMILESO=C(Nc1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H8F7NO/c15-12(16,13(17,18)14(19,20)21)11(23)22-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,22,23)
InChIKeyVERASNSGCMSQDX-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.61
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-heptafluoro-N-naphthalen-1-ylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide (CID 532107) is 2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide is O=C(Nc1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide?
The InChIKey is VERASNSGCMSQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F7NO/c15-12(16,13(17,18)14(19,20)21)11(23)22-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,22,23).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-naphthalen-1-ylbutanamide has a molecular weight of 339.21 g/mol, XLogP of 4.61, 3 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-naphthalen-1-ylbutanamide is sourced from PubChem (CID 532107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).