1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine

C18H12F7N — CID 59157184

IUPAC1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
SMILESC/N=C(\c1ccc2c(c1)-c1ccccc1C2)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H12F7N/c1-26-15(16(19,20)17(21,22)18(23,24)25)12-7-6-11-8-10-4-2-3-5-13(10)14(11)9-12/h2-7,9H,8H2,1H3/b26-15+
InChIKeyZSCQQMAJVIYVBJ-CVKSISIWSA-N
MW375.29 g/mol
LogP5.51
Rot. Bonds3

About 1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine

1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine (PubChem CID 59157184) has the molecular formula C18H12F7N and a molecular weight of 375.29 g/mol. Its IUPAC name is 1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine.

Molecular Properties

Compound Name1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
PubChem CID59157184
Molecular FormulaC18H12F7N
Molecular Weight375.29 g/mol
Exact Mass375.09
IUPAC Name1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
SMILESC/N=C(\c1ccc2c(c1)-c1ccccc1C2)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H12F7N/c1-26-15(16(19,20)17(21,22)18(23,24)25)12-7-6-11-8-10-4-2-3-5-13(10)14(11)9-12/h2-7,9H,8H2,1H3/b26-15+
InChIKeyZSCQQMAJVIYVBJ-CVKSISIWSA-N
XLogP5.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.29
LogP ≤ 55.51
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 1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
The IUPAC name of 1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine (CID 59157184) is 1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine.
What is the SMILES notation for 1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
The canonical SMILES for 1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine is C/N=C(\c1ccc2c(c1)-c1ccccc1C2)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
The InChIKey is ZSCQQMAJVIYVBJ-CVKSISIWSA-N. The full InChI is InChI=1S/C18H12F7N/c1-26-15(16(19,20)17(21,22)18(23,24)25)12-7-6-11-8-10-4-2-3-5-13(10)14(11)9-12/h2-7,9H,8H2,1H3/b26-15+.
What are the key properties of 1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine has a molecular weight of 375.29 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-3-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine is sourced from PubChem (CID 59157184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).