2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium

C26H27F10N2O4S2+ — CID 159241496

IUPAC2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium
SMILESCCCC[N+]1(C)CCCC1.[H]/N=C1\C2=Cc3ccccc3C2=CC(S(=O)(=O)C(F)(F)C(F)(F)F)=C1S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H7F10NO4S2.C9H20N/c18-14(19,20)16(24,25)33(29,30)11-6-9-8-4-2-1-3-7(8)5-10(9)12(28)13(11)34(31,32)17(26,27)15(21,22)23;1-3-4-7-10(2)8-5-6-9-10/h1-6,28H;3-9H2,1-2H3/q;+1/b28-12+;
InChIKeyKUDRCLHRLOGMSV-ZAJJSZMNSA-N
MW685.63 g/mol
LogP6.88
Rot. Bonds7

About 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium

2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium (PubChem CID 159241496) has the molecular formula C26H27F10N2O4S2+ and a molecular weight of 685.63 g/mol. Its IUPAC name is 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Name2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium
PubChem CID159241496
Molecular FormulaC26H27F10N2O4S2+
Molecular Weight685.63 g/mol
Exact Mass685.12
IUPAC Name2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium
SMILESCCCC[N+]1(C)CCCC1.[H]/N=C1\C2=Cc3ccccc3C2=CC(S(=O)(=O)C(F)(F)C(F)(F)F)=C1S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H7F10NO4S2.C9H20N/c18-14(19,20)16(24,25)33(29,30)11-6-9-8-4-2-1-3-7(8)5-10(9)12(28)13(11)34(31,32)17(26,27)15(21,22)23;1-3-4-7-10(2)8-5-6-9-10/h1-6,28H;3-9H2,1-2H3/q;+1/b28-12+;
InChIKeyKUDRCLHRLOGMSV-ZAJJSZMNSA-N
XLogP6.88
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.63
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium with MolForge

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

Launch Full Analysis

Related Compounds

2,3-bis(trifluoromethylsulfonyl)fluoren-1-imine;1-methyl-1-pentylpiperidin-1-ium
CID 159423091
2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium
CID 158451178
CID 175985522
CID 175985522
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-hexyl-1-methylpiperidin-1-ium
CID 141351001
bis(1-butyl-1-methylpyrrolidin-1-ium);hydrogen sulfate
CID 140689442
1-decyl-1-methylpiperidin-1-ium;trifluoromethanesulfonate
CID 171615535
hept-2-ene;1-iminofluorene-2,3-dicarboxylic acid
CID 161480372
bis(4-tert-butylphenyl)iodanium;bis(trifluoromethylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium;diphenyliodanium;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;1,2,3,5-tetramethylbenzene;tetrapropylazanium;1,4-xylene
CID 159988975
hydroxy-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-diphenylsilane
CID 12518949
1-heptyl-1-methylpyrrolidin-1-ium;methanesulfonate
CID 171569555
lithium;3-(1-methylpyrrolidin-1-ium-1-yl)propane-1-sulfonate;trifluoromethanesulfonate
CID 87764040
1-methyl-1-propylpiperidin-1-ium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 170920743

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium?
The IUPAC name of 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium (CID 159241496) is 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium.
What is the SMILES notation for 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium?
The canonical SMILES for 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium is CCCC[N+]1(C)CCCC1.[H]/N=C1\C2=Cc3ccccc3C2=CC(S(=O)(=O)C(F)(F)C(F)(F)F)=C1S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium?
The InChIKey is KUDRCLHRLOGMSV-ZAJJSZMNSA-N. The full InChI is InChI=1S/C17H7F10NO4S2.C9H20N/c18-14(19,20)16(24,25)33(29,30)11-6-9-8-4-2-1-3-7(8)5-10(9)12(28)13(11)34(31,32)17(26,27)15(21,22)23;1-3-4-7-10(2)8-5-6-9-10/h1-6,28H;3-9H2,1-2H3/q;+1/b28-12+;.
What are the key properties of 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium?
2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium has a molecular weight of 685.63 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 159241496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).