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)

C85H102F4N4O14S2+2 — CID 159891117

About 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)

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) (PubChem CID 159891117) has the molecular formula C85H102F4N4O14S2+2 and a molecular weight of 1543.89 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] 4-(2,2-difluoropropoxycarbonyloxy)adamantane-1-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 159891117
• Molecular Formula: C85H102F4N4O14S2+2
• Molecular Weight: 1543.89 g/mol
• Exact Mass: 1542.68
• IUPAC Name: 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)
• SMILES: C.CC(C)(C)OC(=O)COC(=O)C12CC3CC(C1)C(O)C(C3)C2.CC(F)(F)CO.CC(F)(F)COC(=O)OC1C2CC3CC1CC(C(=O)OCC(=O)OC(C)(C)C)(C3)C2.O=C(n1ccnc1)n1ccnc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C21H30F2O7.2C18H15S.C17H26O5.C7H6N4O.C3H6F2O.CH4/c1-19(2,3)30-15(24)10-27-17(25)21-7-12-5-13(8-21)16(14(6-12)9-21)29-18(26)28-11-20(4,22)23;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2,3)22-13(18)9-21-15(20)17-6-10-4-11(7-17)14(19)12(5-10)8-17;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2-6;/h12-14,16H,5-11H2,1-4H3;2*1-15H;10-12,14,19H,4-9H2,1-3H3;1-6H;6H,2H2,1H3;1H4/q;2*+1
• InChIKey: NUTMDQPZYLZJHL-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 233.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.89
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

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] 4-(2,2-difluoropropoxycarbonyloxy)adamantane-1-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-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] 4-(2,2-difluoropropoxycarbonyloxy)adamantane-1-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;bis(triphenylsulfanium) (CID 159891117) is 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).

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] 4-(2,2-difluoropropoxycarbonyloxy)adamantane-1-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-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] 4-(2,2-difluoropropoxycarbonyloxy)adamantane-1-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;bis(triphenylsulfanium) is C.CC(C)(C)OC(=O)COC(=O)C12CC3CC(C1)C(O)C(C3)C2.CC(F)(F)CO.CC(F)(F)COC(=O)OC1C2CC3CC1CC(C(=O)OCC(=O)OC(C)(C)C)(C3)C2.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] 4-(2,2-difluoropropoxycarbonyloxy)adamantane-1-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;bis(triphenylsulfanium)?

The InChIKey is NUTMDQPZYLZJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2O7.2C18H15S.C17H26O5.C7H6N4O.C3H6F2O.CH4/c1-19(2,3)30-15(24)10-27-17(25)21-7-12-5-13(8-21)16(14(6-12)9-21)29-18(26)28-11-20(4,22)23;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2,3)22-13(18)9-21-15(20)17-6-10-4-11(7-17)14(19)12(5-10)8-17;12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-3(4,5)2-6;/h12-14,16H,5-11H2,1-4H3;2*1-15H;10-12,14,19H,4-9H2,1-3H3;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] 4-(2,2-difluoropropoxycarbonyloxy)adamantane-1-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;bis(triphenylsulfanium)?

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) has a molecular weight of 1543.89 g/mol, XLogP of 17.36, 16 rotatable bonds, 2 hydrogen bond donors, and 18 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] 4-(2,2-difluoropropoxycarbonyloxy)adamantane-1-carboxylate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;bis(triphenylsulfanium) is sourced from PubChem (CID 159891117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).