bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium)

C76H60F14N4O6S2+2 — CID 158134505

IUPACbis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium)
SMILESC.CC(F)(F)C(=O)O.CC(F)(F)C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(n1ccnc1)n1ccnc1.OC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/2C18H12F3S.C16H12F4O2.C13H10F2O.C7H6N4O.C3H4F2O2.CH4/c2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;1-16(19,20)15(21)22-14(10-2-6-12(17)7-3-10)11-4-8-13(18)9-5-11;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2(6)7;/h2*1-12H;2-9,14H,1H3;1-8,13,16H;1-6H;1H3,(H,6,7);1H4/q2*+1;;;;;
InChIKeyFTELUOGAXWCKQA-UHFFFAOYSA-N
MW1455.44 g/mol
LogP19.66
Rot. Bonds13

About bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium)

bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium) (PubChem CID 158134505) has the molecular formula C76H60F14N4O6S2+2 and a molecular weight of 1455.44 g/mol. Its IUPAC name is bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium).

Molecular Properties

Compound Namebis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium)
PubChem CID158134505
Molecular FormulaC76H60F14N4O6S2+2
Molecular Weight1455.44 g/mol
Exact Mass1454.37
IUPAC Namebis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium)
SMILESC.CC(F)(F)C(=O)O.CC(F)(F)C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(n1ccnc1)n1ccnc1.OC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/2C18H12F3S.C16H12F4O2.C13H10F2O.C7H6N4O.C3H4F2O2.CH4/c2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;1-16(19,20)15(21)22-14(10-2-6-12(17)7-3-10)11-4-8-13(18)9-5-11;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2(6)7;/h2*1-12H;2-9,14H,1H3;1-8,13,16H;1-6H;1H3,(H,6,7);1H4/q2*+1;;;;;
InChIKeyFTELUOGAXWCKQA-UHFFFAOYSA-N
XLogP19.66
TPSA136.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001455.44
LogP ≤ 519.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium) with MolForge

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Related Compounds

Dicyclohexylmethanol;dicyclohexylmethyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide
CID 157183268
4-(4-Butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropyl carbonate;2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)
CID 157971519
2,2-Difluoro-1-imidazol-1-ylpropan-1-one;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[4-(ethenoxymethyl)cyclohexyl]methanol;[4-(ethenoxymethyl)cyclohexyl]methyl 2,2-difluoropropanoate;tris(triphenylsulfanium);iodide
CID 158176841
4-Cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;bis(triphenylsulfanium);iodide
CID 159072382
[3-(2,2-Difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;di(imidazol-1-yl)methanone;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;bis(triphenylsulfanium)
CID 159126939
2,2-Difluoro-1-imidazol-1-ylpropan-1-one;[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate;[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate;bis(triphenylsulfanium);iodide
CID 159589040
Bis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);dicyclohexylmethanol;dicyclohexylmethyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone
CID 159600439
Bis([3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate);triphenylsulfanium
CID 160341568
Bis(4-(4-tert-butylphenyl)-1,4-oxathian-4-ium);4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl) 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane
CID 161208162
4-(4-Butylcyclohexyl)cyclohexan-1-ol;[4-(4-butylcyclohexyl)cyclohexyl] 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)
CID 162129425

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium)?
The IUPAC name of bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium) (CID 158134505) is bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium).
What is the SMILES notation for bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium)?
The canonical SMILES for bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium) is C.CC(F)(F)C(=O)O.CC(F)(F)C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(n1ccnc1)n1ccnc1.OC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium)?
The InChIKey is FTELUOGAXWCKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12F3S.C16H12F4O2.C13H10F2O.C7H6N4O.C3H4F2O2.CH4/c2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;1-16(19,20)15(21)22-14(10-2-6-12(17)7-3-10)11-4-8-13(18)9-5-11;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2(6)7;/h2*1-12H;2-9,14H,1H3;1-8,13,16H;1-6H;1H3,(H,6,7);1H4/q2*+1;;;;;.
What are the key properties of bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium)?
bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium) has a molecular weight of 1455.44 g/mol, XLogP of 19.66, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)methanol;bis(4-fluorophenyl)methyl 2,2-difluoropropanoate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(tris(4-fluorophenyl)sulfanium) is sourced from PubChem (CID 158134505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).