[(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

C19H11F10NO3S — CID 89128436

IUPAC[(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESO=S(=O)(O/N=C(\CF)c1ccc2c(c1)Cc1ccccc1-2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H11F10NO3S/c20-9-15(11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14)30-33-34(31,32)19(28,29)17(23,24)16(21,22)18(25,26)27/h1-6,8H,7,9H2/b30-15+
InChIKeyRSSQGLUUEUUNKZ-FJEPWZHXSA-N
MW523.35 g/mol
LogP5.70
Rot. Bonds7

About [(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

[(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (PubChem CID 89128436) has the molecular formula C19H11F10NO3S and a molecular weight of 523.35 g/mol. Its IUPAC name is [(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Molecular Properties

Compound Name[(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
PubChem CID89128436
Molecular FormulaC19H11F10NO3S
Molecular Weight523.35 g/mol
Exact Mass523.03
IUPAC Name[(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESO=S(=O)(O/N=C(\CF)c1ccc2c(c1)Cc1ccccc1-2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H11F10NO3S/c20-9-15(11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14)30-33-34(31,32)19(28,29)17(23,24)16(21,22)18(25,26)27/h1-6,8H,7,9H2/b30-15+
InChIKeyRSSQGLUUEUUNKZ-FJEPWZHXSA-N
XLogP5.70
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.35
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The IUPAC name of [(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CID 89128436) is [(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
What is the SMILES notation for [(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The canonical SMILES for [(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is O=S(=O)(O/N=C(\CF)c1ccc2c(c1)Cc1ccccc1-2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The InChIKey is RSSQGLUUEUUNKZ-FJEPWZHXSA-N. The full InChI is InChI=1S/C19H11F10NO3S/c20-9-15(11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14)30-33-34(31,32)19(28,29)17(23,24)16(21,22)18(25,26)27/h1-6,8H,7,9H2/b30-15+.
What are the key properties of [(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
[(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has a molecular weight of 523.35 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-(9H-fluoren-2-yl)-2-fluoroethylidene]amino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is sourced from PubChem (CID 89128436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).