1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine

C21H17F7N2 — CID 59157334

IUPAC1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
SMILESC/N=C(\C)c1ccc2c(c1)Cc1ccc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)cc1-2
InChIInChI=1S/C21H17F7N2/c1-11(29-2)12-6-7-16-15(8-12)9-13-4-5-14(10-17(13)16)18(30-3)19(22,23)20(24,25)21(26,27)28/h4-8,10H,9H2,1-3H3/b29-11+,30-18+
InChIKeyLNPGQCLCELRULL-VGHBBWGVSA-N
MW430.37 g/mol
LogP5.95
Rot. Bonds4

About 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine

1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine (PubChem CID 59157334) has the molecular formula C21H17F7N2 and a molecular weight of 430.37 g/mol. Its IUPAC name is 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine.

Molecular Properties

Compound Name1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
PubChem CID59157334
Molecular FormulaC21H17F7N2
Molecular Weight430.37 g/mol
Exact Mass430.13
IUPAC Name1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
SMILESC/N=C(\C)c1ccc2c(c1)Cc1ccc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)cc1-2
InChIInChI=1S/C21H17F7N2/c1-11(29-2)12-6-7-16-15(8-12)9-13-4-5-14(10-17(13)16)18(30-3)19(22,23)20(24,25)21(26,27)28/h4-8,10H,9H2,1-3H3/b29-11+,30-18+
InChIKeyLNPGQCLCELRULL-VGHBBWGVSA-N
XLogP5.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.37
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
The IUPAC name of 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine (CID 59157334) is 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine.
What is the SMILES notation for 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
The canonical SMILES for 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine is C/N=C(\C)c1ccc2c(c1)Cc1ccc(/C(=N\C)C(F)(F)C(F)(F)C(F)(F)F)cc1-2.
What is the InChIKey of 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
The InChIKey is LNPGQCLCELRULL-VGHBBWGVSA-N. The full InChI is InChI=1S/C21H17F7N2/c1-11(29-2)12-6-7-16-15(8-12)9-13-4-5-14(10-17(13)16)18(30-3)19(22,23)20(24,25)21(26,27)28/h4-8,10H,9H2,1-3H3/b29-11+,30-18+.
What are the key properties of 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine?
1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine has a molecular weight of 430.37 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(C,N-dimethylcarbonimidoyl)-9H-fluoren-3-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine is sourced from PubChem (CID 59157334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).