[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate

C22F44N4O5 — CID 175358369

About [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate

[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate (PubChem CID 175358369) has the molecular formula C22F44N4O5 and a molecular weight of 1236.18 g/mol. Its IUPAC name is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate.

Molecular Properties

• Compound Name: [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate
• PubChem CID: 175358369
• Molecular Formula: C22F44N4O5
• Molecular Weight: 1236.18 g/mol
• Exact Mass: 1235.92
• IUPAC Name: [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate
• SMILES: O=C(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)N(C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)N(N(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C22F44N4O5/c23-4(24,7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)20(57,58)59)1(71)68(65)70(69(66)22(63,64)13(37,38)12(35,36)21(60,61)62)67(2(72)74-5(14(39,40)41,15(42,43)44)16(45,46)47)3(73)75-6(17(48,49)50,18(51,52)53)19(54,55)56
• InChIKey: YRJHAIIUNWAKRX-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 82.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1236.18
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate?

The IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate (CID 175358369) is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate.

What is the SMILES notation for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate?

The canonical SMILES for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate is O=C(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)N(C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)N(N(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate?

The InChIKey is YRJHAIIUNWAKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22F44N4O5/c23-4(24,7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)20(57,58)59)1(71)68(65)70(69(66)22(63,64)13(37,38)12(35,36)21(60,61)62)67(2(72)74-5(14(39,40)41,15(42,43)44)16(45,46)47)3(73)75-6(17(48,49)50,18(51,52)53)19(54,55)56.

What are the key properties of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate?

[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate has a molecular weight of 1236.18 g/mol, XLogP of 13.16, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] N-[[fluoro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)amino]-[fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]amino]-N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycarbonylcarbamate is sourced from PubChem (CID 175358369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).