tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane

C40H26F17GaN8O3S — CID 160630445

About tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane

tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane (PubChem CID 160630445) has the molecular formula C40H26F17GaN8O3S and a molecular weight of 1091.46 g/mol. Its IUPAC name is tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane.

Molecular Properties

• Compound Name: tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane
• PubChem CID: 160630445
• Molecular Formula: C40H26F17GaN8O3S
• Molecular Weight: 1091.46 g/mol
• Exact Mass: 1090.08
• IUPAC Name: tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane
• SMILES: FC(F)(F)F.FCF.FCF.FCF.FCF.O=S(=O)(O[Ga]1n2c3c4ccccc4c2/N=C2\N=C(/N=c4/c5ccccc5/c(n41)=N/C1=N/C(=N\3)c3ccccc31)c1ccccc12)C(F)(F)C(F)(F)CF
• InChI: InChI=1S/C32H16N8.C3H3F5O3S.CF4.4CH2F2.Ga/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;4-1-2(5,6)3(7,8)12(9,10)11;2-1(3,4)5;4*2-1-3;/h1-16H;1H2,(H,9,10,11);;4*1H2;/q-2;;;;;;;+3/p-1
• InChIKey: RHVVTUKQDOWAGC-UHFFFAOYSA-M
• XLogP: 10.47
• TPSA: 127.39 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1091.46
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane?

The IUPAC name of tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane (CID 160630445) is tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane.

What is the SMILES notation for tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane?

The canonical SMILES for tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane is FC(F)(F)F.FCF.FCF.FCF.FCF.O=S(=O)(O[Ga]1n2c3c4ccccc4c2/N=C2\N=C(/N=c4/c5ccccc5/c(n41)=N/C1=N/C(=N\3)c3ccccc31)c1ccccc12)C(F)(F)C(F)(F)CF.

What is the InChIKey of tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane?

The InChIKey is RHVVTUKQDOWAGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H16N8.C3H3F5O3S.CF4.4CH2F2.Ga/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;4-1-2(5,6)3(7,8)12(9,10)11;2-1(3,4)5;4*2-1-3;/h1-16H;1H2,(H,9,10,11);;4*1H2;/q-2;;;;;;;+3/p-1.

What are the key properties of tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane?

tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane has a molecular weight of 1091.46 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(difluoromethane);9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 1,1,2,2,3-pentafluoropropane-1-sulfonate;tetrafluoromethane is sourced from PubChem (CID 160630445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).