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

C24H23F10N2O4S2+ — CID 158451178

IUPAC2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium
SMILESC[N+]1(C)CCCCC1.[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.C7H16N/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;1-8(2)6-4-3-5-7-8/h1-6,28H;3-7H2,1-2H3/q;+1/b28-12+;
InChIKeyHDZROSHDYWYRDM-ZAJJSZMNSA-N
MW657.57 g/mol
LogP6.10
Rot. Bonds4

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

2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium (PubChem CID 158451178) has the molecular formula C24H23F10N2O4S2+ and a molecular weight of 657.57 g/mol. Its IUPAC name is 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium
PubChem CID158451178
Molecular FormulaC24H23F10N2O4S2+
Molecular Weight657.57 g/mol
Exact Mass657.09
IUPAC Name2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium
SMILESC[N+]1(C)CCCCC1.[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.C7H16N/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;1-8(2)6-4-3-5-7-8/h1-6,28H;3-7H2,1-2H3/q;+1/b28-12+;
InChIKeyHDZROSHDYWYRDM-ZAJJSZMNSA-N
XLogP6.10
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.57
LogP ≤ 56.10
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'}

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Related Compounds

2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1-butyl-1-methylpyrrolidin-1-ium
CID 159241496
2,3-bis(trifluoromethylsulfonyl)fluoren-1-imine;1-methyl-1-pentylpiperidin-1-ium
CID 159423091
bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
CID 141312811
3-[4-(trifluoromethyl)phenyl]fluoren-1-one
CID 140563996
1-methyl-4-(1,1,2,2,2-pentafluoroethylsulfonyl)benzene
CID 53429734
cyclopropane;bis(1,1-dimethylpiperidin-1-ium)
CID 67708683
ethane;trifluoromethylsulfonylbenzene
CID 144556552
1,1-dimethyl-4-(2-propan-2-ylidene-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-3,6-dihydro-2H-pyridin-1-ium
CID 10367392
1,1,4,4-tetramethylpiperazine-1,4-diium;bis(trifluoromethanesulfonate)
CID 87842553
2,3-dimethylbutane-2,3-diol;fluoren-1-one
CID 174955276
[(2-naphthalen-1-ylfluoren-1-ylidene)amino] trifluoromethanesulfonate
CID 150577680
2-phenylinden-1-one
CID 10878305

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium?
The IUPAC name of 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium (CID 158451178) is 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium.
What is the SMILES notation for 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium?
The canonical SMILES for 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium is C[N+]1(C)CCCCC1.[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;1,1-dimethylpiperidin-1-ium?
The InChIKey is HDZROSHDYWYRDM-ZAJJSZMNSA-N. The full InChI is InChI=1S/C17H7F10NO4S2.C7H16N/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;1-8(2)6-4-3-5-7-8/h1-6,28H;3-7H2,1-2H3/q;+1/b28-12+;.
What are the key properties of 2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium?
2,3-bis(1,1,2,2,2-pentafluoroethylsulfonyl)fluoren-1-imine;1,1-dimethylpiperidin-1-ium has a molecular weight of 657.57 g/mol, XLogP of 6.10, 4 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;1,1-dimethylpiperidin-1-ium is sourced from PubChem (CID 158451178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).