2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium)

C81H90F4N4O18S2+2 — CID 159932181

IUPAC2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium)
SMILESC.CC(C)(C)OC(=O)COC(=O)C1C2CC3C(OC(=O)C31)C2O.CC(F)(F)CO.CC(F)(F)COC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OCC(=O)OC(C)(C)C.O=C(n1ccnc1)n1ccnc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H24F2O9.2C18H15S.C15H20O7.C7H6N4O.C3H6F2O.CH4/c1-18(2,3)30-10(22)6-26-15(23)11-8-5-9-12(11)16(24)28-13(9)14(8)29-17(25)27-7-19(4,20)21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)22-8(16)5-20-13(18)9-6-4-7-10(9)14(19)21-12(7)11(6)17;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2-6;/h8-9,11-14H,5-7H2,1-4H3;2*1-15H;6-7,9-12,17H,4-5H2,1-3H3;1-6H;6H,2H2,1H3;1H4/q;2*+1;;;;
InChIKeyNZTYWZDABSBWIU-UHFFFAOYSA-N
MW1547.75 g/mol
LogP13.33
Rot. Bonds16

About 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium)

2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium) (PubChem CID 159932181) has the molecular formula C81H90F4N4O18S2+2 and a molecular weight of 1547.75 g/mol. Its IUPAC name is 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium).

Molecular Properties

Compound Name2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium)
PubChem CID159932181
Molecular FormulaC81H90F4N4O18S2+2
Molecular Weight1547.75 g/mol
Exact Mass1546.56
IUPAC Name2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium)
SMILESC.CC(C)(C)OC(=O)COC(=O)C1C2CC3C(OC(=O)C31)C2O.CC(F)(F)CO.CC(F)(F)COC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OCC(=O)OC(C)(C)C.O=C(n1ccnc1)n1ccnc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H24F2O9.2C18H15S.C15H20O7.C7H6N4O.C3H6F2O.CH4/c1-18(2,3)30-10(22)6-26-15(23)11-8-5-9-12(11)16(24)28-13(9)14(8)29-17(25)27-7-19(4,20)21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)22-8(16)5-20-13(18)9-6-4-7-10(9)14(19)21-12(7)11(6)17;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2-6;/h8-9,11-14H,5-7H2,1-4H3;2*1-15H;6-7,9-12,17H,4-5H2,1-3H3;1-6H;6H,2H2,1H3;1H4/q;2*+1;;;;
InChIKeyNZTYWZDABSBWIU-UHFFFAOYSA-N
XLogP13.33
TPSA286.50 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001547.75
LogP ≤ 513.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium) 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

2,2-Difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium);iodide
CID 159663971
2,2-Difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-(2,2-difluoropropoxycarbonyloxy)adamantane-1-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;bis(triphenylsulfanium)
CID 159891117
3-[Tert-butyl(dimethyl)silyl]oxypropyl 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-[tert-butyl(dimethyl)silyl]oxypropyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;methane;bis(triphenylsulfanium)
CID 161891439
Di(imidazol-1-yl)methanone;2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid;1,1,1,3,3-pentafluorobutan-2-ol;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium)
CID 164984963
Di(imidazol-1-yl)methanone;bis(diphenyliodanium);2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid;1,1,1,3,3-pentafluorobutan-2-ol;1,1,1,3,3-pentafluorobutan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 164993402
2,2-Difluoropropanoic acid;di(imidazol-1-yl)methanone;(4-iodophenyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(4-iodophenyl) 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium);iodide
CID 165036968

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium)?
The IUPAC name of 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium) (CID 159932181) is 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium).
What is the SMILES notation for 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium)?
The canonical SMILES for 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium) is C.CC(C)(C)OC(=O)COC(=O)C1C2CC3C(OC(=O)C31)C2O.CC(F)(F)CO.CC(F)(F)COC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OCC(=O)OC(C)(C)C.O=C(n1ccnc1)n1ccnc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium)?
The InChIKey is NZTYWZDABSBWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2O9.2C18H15S.C15H20O7.C7H6N4O.C3H6F2O.CH4/c1-18(2,3)30-10(22)6-26-15(23)11-8-5-9-12(11)16(24)28-13(9)14(8)29-17(25)27-7-19(4,20)21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(2,3)22-8(16)5-20-13(18)9-6-4-7-10(9)14(19)21-12(7)11(6)17;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2-6;/h8-9,11-14H,5-7H2,1-4H3;2*1-15H;6-7,9-12,17H,4-5H2,1-3H3;1-6H;6H,2H2,1H3;1H4/q;2*+1;;;;.
What are the key properties of 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium)?
2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium) has a molecular weight of 1547.75 g/mol, XLogP of 13.33, 16 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropan-1-ol;di(imidazol-1-yl)methanone;methane;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(2,2-difluoropropoxycarbonyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;bis(triphenylsulfanium) is sourced from PubChem (CID 159932181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).