2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine

C16H10F15N — CID 564143

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=N/CCc1ccccc1
InChIInChI=1S/C16H10F15N/c17-10(18,8-32-7-6-9-4-2-1-3-5-9)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-5,8H,6-7H2/b32-8+
InChIKeyJFCGFYIIFNVYCN-LTYZHWICSA-N
MW501.23 g/mol
LogP6.67
Rot. Bonds9

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine (PubChem CID 564143) has the molecular formula C16H10F15N and a molecular weight of 501.23 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine
PubChem CID564143
Molecular FormulaC16H10F15N
Molecular Weight501.23 g/mol
Exact Mass501.06
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=N/CCc1ccccc1
InChIInChI=1S/C16H10F15N/c17-10(18,8-32-7-6-9-4-2-1-3-5-9)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-5,8H,6-7H2/b32-8+
InChIKeyJFCGFYIIFNVYCN-LTYZHWICSA-N
XLogP6.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.23
LogP ≤ 56.67
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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine (CID 564143) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=N/CCc1ccccc1.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine?
The InChIKey is JFCGFYIIFNVYCN-LTYZHWICSA-N. The full InChI is InChI=1S/C16H10F15N/c17-10(18,8-32-7-6-9-4-2-1-3-5-9)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-5,8H,6-7H2/b32-8+.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine has a molecular weight of 501.23 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2-phenylethyl)octan-1-imine is sourced from PubChem (CID 564143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).