2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine

C10H6F7N — CID 71382954

IUPAC2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine
SMILESFC(F)(F)C(F)(F)C(F)(F)/C=N/c1ccccc1
InChIInChI=1S/C10H6F7N/c11-8(12,9(13,14)10(15,16)17)6-18-7-4-2-1-3-5-7/h1-6H/b18-6+
InChIKeyZLEJZFMXNQLLHM-NGYBGAFCSA-N
MW273.15 g/mol
LogP4.22
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine

2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine (PubChem CID 71382954) has the molecular formula C10H6F7N and a molecular weight of 273.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine
PubChem CID71382954
Molecular FormulaC10H6F7N
Molecular Weight273.15 g/mol
Exact Mass273.04
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine
SMILESFC(F)(F)C(F)(F)C(F)(F)/C=N/c1ccccc1
InChIInChI=1S/C10H6F7N/c11-8(12,9(13,14)10(15,16)17)6-18-7-4-2-1-3-5-7/h1-6H/b18-6+
InChIKeyZLEJZFMXNQLLHM-NGYBGAFCSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 54.22
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-phenylbutan-1-imine?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine (CID 71382954) is 2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine is FC(F)(F)C(F)(F)C(F)(F)/C=N/c1ccccc1.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine?
The InChIKey is ZLEJZFMXNQLLHM-NGYBGAFCSA-N. The full InChI is InChI=1S/C10H6F7N/c11-8(12,9(13,14)10(15,16)17)6-18-7-4-2-1-3-5-7/h1-6H/b18-6+.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine?
2,2,3,3,4,4,4-heptafluoro-N-phenylbutan-1-imine has a molecular weight of 273.15 g/mol, XLogP of 4.22, 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-phenylbutan-1-imine is sourced from PubChem (CID 71382954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).