bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride

C42H55F36N7O7 — CID 158471932

About bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride

bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride (PubChem CID 158471932) has the molecular formula C42H55F36N7O7 and a molecular weight of 1453.87 g/mol. Its IUPAC name is bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride.

Molecular Properties

• Compound Name: bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride
• PubChem CID: 158471932
• Molecular Formula: C42H55F36N7O7
• Molecular Weight: 1453.87 g/mol
• Exact Mass: 1453.36
• IUPAC Name: bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride
• SMILES: CC1CC(C(F)(F)F)CN(C(F)(F)C(F)(F)C(=O)F)C1.CC1CN(C(F)(F)C(F)(F)C(=O)F)CC(C(F)(F)F)O1.CN1CCN(C(F)(F)C(F)(F)C(=O)F)CC1.CN1CCN(C(F)(F)C(F)(F)C(=O)F)CC1.F.F.F.F.F.O=C(F)C(F)(F)C(F)(F)N1CCOCC1
• InChI: InChI=1S/C10H11F8NO.C9H9F8NO2.2C8H11F5N2O.C7H8F5NO2.5FH/c1-5-2-6(9(14,15)16)4-19(3-5)10(17,18)8(12,13)7(11)20;1-4-2-18(3-5(20-4)8(13,14)15)9(16,17)7(11,12)6(10)19;2*1-14-2-4-15(5-3-14)8(12,13)7(10,11)6(9)16;8-5(14)6(9,10)7(11,12)13-1-3-15-4-2-13;;;;;/h5-6H,2-4H2,1H3;4-5H,2-3H2,1H3;2*2-5H2,1H3;1-4H2;5*1H
• InChIKey: HGLKZDWHEWFSMK-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 126.49 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1453.87
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', '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 bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride?

The IUPAC name of bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride (CID 158471932) is bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride.

What is the SMILES notation for bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride?

The canonical SMILES for bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride is CC1CC(C(F)(F)F)CN(C(F)(F)C(F)(F)C(=O)F)C1.CC1CN(C(F)(F)C(F)(F)C(=O)F)CC(C(F)(F)F)O1.CN1CCN(C(F)(F)C(F)(F)C(=O)F)CC1.CN1CCN(C(F)(F)C(F)(F)C(=O)F)CC1.F.F.F.F.F.O=C(F)C(F)(F)C(F)(F)N1CCOCC1.

What is the InChIKey of bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride?

The InChIKey is HGLKZDWHEWFSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F8NO.C9H9F8NO2.2C8H11F5N2O.C7H8F5NO2.5FH/c1-5-2-6(9(14,15)16)4-19(3-5)10(17,18)8(12,13)7(11)20;1-4-2-18(3-5(20-4)8(13,14)15)9(16,17)7(11,12)6(10)19;2*1-14-2-4-15(5-3-14)8(12,13)7(10,11)6(9)16;8-5(14)6(9,10)7(11,12)13-1-3-15-4-2-13;;;;;/h5-6H,2-4H2,1H3;4-5H,2-3H2,1H3;2*2-5H2,1H3;1-4H2;5*1H.

What are the key properties of bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride?

bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride has a molecular weight of 1453.87 g/mol, XLogP of 9.31, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,2,3,3-tetrafluoro-3-(4-methylpiperazin-1-yl)propanoyl fluoride);2,2,3,3-tetrafluoro-3-[2-methyl-6-(trifluoromethyl)morpholin-4-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-[3-methyl-5-(trifluoromethyl)piperidin-1-yl]propanoyl fluoride;2,2,3,3-tetrafluoro-3-morpholin-4-ylpropanoyl fluoride;pentahydrofluoride is sourced from PubChem (CID 158471932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).