(12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate

C44Cl22F64O4 — CID 23112152

About (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate

(12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate (PubChem CID 23112152) has the molecular formula C44Cl22F64O4 and a molecular weight of 2588.32 g/mol. Its IUPAC name is (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate.

Molecular Properties

• Compound Name: (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate
• PubChem CID: 23112152
• Molecular Formula: C44Cl22F64O4
• Molecular Weight: 2588.32 g/mol
• Exact Mass: 2577.19
• IUPAC Name: (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate
• SMILES: O=C(OOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(F)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(F)Cl
• InChI: InChI=1S/C44Cl22F64O4/c45-5(71,7(47,73)11(51,77)15(55,81)19(59,85)23(63,89)43(65,127)128)9(49,75)13(53,79)17(57,83)21(61,87)27(95,96)31(103,104)35(111,112)39(119,120)41(123,124)37(115,116)33(107,108)29(99,100)25(91,92)3(67,68)1(131)133-134-2(132)4(69,70)26(93,94)30(101,102)34(109,110)38(117,118)42(125,126)40(121,122)36(113,114)32(105,106)28(97,98)22(62,88)18(58,84)14(54,80)10(50,76)6(46,72)8(48,74)12(52,78)16(56,82)20(60,86)24(64,90)44(66,129)130
• InChIKey: RWFAAJLSIXISFS-UHFFFAOYSA-N
• XLogP: 32.45
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 42
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2588.32
LogP ≤ 5	32.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate?

The IUPAC name of (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate (CID 23112152) is (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate.

What is the SMILES notation for (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate?

The canonical SMILES for (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate is O=C(OOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(F)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(Cl)C(F)(F)Cl.

What is the InChIKey of (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate?

The InChIKey is RWFAAJLSIXISFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44Cl22F64O4/c45-5(71,7(47,73)11(51,77)15(55,81)19(59,85)23(63,89)43(65,127)128)9(49,75)13(53,79)17(57,83)21(61,87)27(95,96)31(103,104)35(111,112)39(119,120)41(123,124)37(115,116)33(107,108)29(99,100)25(91,92)3(67,68)1(131)133-134-2(132)4(69,70)26(93,94)30(101,102)34(109,110)38(117,118)42(125,126)40(121,122)36(113,114)32(105,106)28(97,98)22(62,88)18(58,84)14(54,80)10(50,76)6(46,72)8(48,74)12(52,78)16(56,82)20(60,86)24(64,90)44(66,129)130.

What are the key properties of (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate?

(12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate has a molecular weight of 2588.32 g/mol, XLogP of 32.45, 42 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate is sourced from PubChem (CID 23112152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).