2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine

C15H10F7N — CID 59157285

IUPAC2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine
SMILESC/N=C(\c1ccc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H10F7N/c1-23-12(13(16,17)14(18,19)15(20,21)22)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3/b23-12+
InChIKeyCTPPBITXGWIMHY-FSJBWODESA-N
MW337.24 g/mol
LogP5.09
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine

2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine (PubChem CID 59157285) has the molecular formula C15H10F7N and a molecular weight of 337.24 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine
PubChem CID59157285
Molecular FormulaC15H10F7N
Molecular Weight337.24 g/mol
Exact Mass337.07
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine
SMILESC/N=C(\c1ccc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H10F7N/c1-23-12(13(16,17)14(18,19)15(20,21)22)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3/b23-12+
InChIKeyCTPPBITXGWIMHY-FSJBWODESA-N
XLogP5.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.24
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-methyl-1-naphthalen-2-ylbutan-1-imine?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine (CID 59157285) is 2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine is C/N=C(\c1ccc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine?
The InChIKey is CTPPBITXGWIMHY-FSJBWODESA-N. The full InChI is InChI=1S/C15H10F7N/c1-23-12(13(16,17)14(18,19)15(20,21)22)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3/b23-12+.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine?
2,2,3,3,4,4,4-heptafluoro-N-methyl-1-naphthalen-2-ylbutan-1-imine has a molecular weight of 337.24 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 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-methyl-1-naphthalen-2-ylbutan-1-imine is sourced from PubChem (CID 59157285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).