18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine

C40HF82NO2 — CID 146310584

About 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine

18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine (PubChem CID 146310584) has the molecular formula C40HF82NO2 and a molecular weight of 2085.29 g/mol. Its IUPAC name is 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine.

Molecular Properties

• Compound Name: 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine
• PubChem CID: 146310584
• Molecular Formula: C40HF82NO2
• Molecular Weight: 2085.29 g/mol
• Exact Mass: 2084.87
• IUPAC Name: 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine
• SMILES: FC(F)(OC(F)(F)C(F)(F)F)OC(F)(C(F)(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)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)NC(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)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C40HF82NO2/c41-1(42,5(49,50)9(57,58)13(65,66)17(73,74)21(81,82)25(89,90)29(97,98)33(105,35(109,110)111)124-40(121,122)125-39(119,120)36(112,113)114)3(45,46)7(53,54)11(61,62)15(69,70)19(77,78)23(85,86)27(93,94)31(101,102)37(115,116)123-38(117,118)32(103,104)28(95,96)24(87,88)20(79,80)16(71,72)12(63,64)8(55,56)4(47,48)2(43,44)6(51,52)10(59,60)14(67,68)18(75,76)22(83,84)26(91,92)30(99,100)34(106,107)108/h123H
• InChIKey: JJLIXZIIWDXGPE-UHFFFAOYSA-N
• XLogP: 25.62
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 39
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2085.29
LogP ≤ 5	25.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine?

The IUPAC name of 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine (CID 146310584) is 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine.

What is the SMILES notation for 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine?

The canonical SMILES for 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine is FC(F)(OC(F)(F)C(F)(F)F)OC(F)(C(F)(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)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)NC(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)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine?

The InChIKey is JJLIXZIIWDXGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40HF82NO2/c41-1(42,5(49,50)9(57,58)13(65,66)17(73,74)21(81,82)25(89,90)29(97,98)33(105,35(109,110)111)124-40(121,122)125-39(119,120)36(112,113)114)3(45,46)7(53,54)11(61,62)15(69,70)19(77,78)23(85,86)27(93,94)31(101,102)37(115,116)123-38(117,118)32(103,104)28(95,96)24(87,88)20(79,80)16(71,72)12(63,64)8(55,56)4(47,48)2(43,44)6(51,52)10(59,60)14(67,68)18(75,76)22(83,84)26(91,92)30(99,100)34(106,107)108/h123H.

What are the key properties of 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine?

18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine has a molecular weight of 2085.29 g/mol, XLogP of 25.62, 39 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,19,19,19-octatriacontafluoro-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)nonadecan-1-amine is sourced from PubChem (CID 146310584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).