2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide

C13H8F5NO — CID 575639

IUPAC2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide
SMILESO=C(Nc1cccc2ccccc12)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H8F5NO/c14-12(15,13(16,17)18)11(20)19-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,19,20)
InChIKeyONHWHNOSQSZHGG-UHFFFAOYSA-N
MW289.20 g/mol
LogP3.98
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide

2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide (PubChem CID 575639) has the molecular formula C13H8F5NO and a molecular weight of 289.20 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide
PubChem CID575639
Molecular FormulaC13H8F5NO
Molecular Weight289.20 g/mol
Exact Mass289.05
IUPAC Name2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide
SMILESO=C(Nc1cccc2ccccc12)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H8F5NO/c14-12(15,13(16,17)18)11(20)19-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,19,20)
InChIKeyONHWHNOSQSZHGG-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 53.98
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 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide (CID 575639) is 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide is O=C(Nc1cccc2ccccc12)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide?
The InChIKey is ONHWHNOSQSZHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO/c14-12(15,13(16,17)18)11(20)19-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,19,20).
What are the key properties of 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide?
2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide has a molecular weight of 289.20 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 575639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).