3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane

C98H133F87 — CID 158193185

About 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane

3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane (PubChem CID 158193185) has the molecular formula C98H133F87 and a molecular weight of 2963.97 g/mol. Its IUPAC name is 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane.

Molecular Properties

• Compound Name: 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane
• PubChem CID: 158193185
• Molecular Formula: C98H133F87
• Molecular Weight: 2963.97 g/mol
• Exact Mass: 2962.90
• IUPAC Name: 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane
• SMILES: C.CC(C)(C)C(C(C)(F)F)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(C)(F)F.CC(C)(C)C(F)(C(C)(F)F)C(F)(F)C(F)(F)F.CC(C)(C)C(F)(C(C)(F)F)C(F)(F)F.CC(C)(C)C(F)(C(F)(F)C(C)(F)F)C(F)(F)C(F)(F)F.CC(C)(C)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(C)(F)F.CC(C)(C)C(F)(F)C(C)(F)F.CC(C)(C)C(F)(F)C(F)(F)C(C)(F)F.CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/2C11H12F12.C10H12F10.C9H9F11.3C9H12F8.2C8H12F6.C7H12F4.C6H12F2.CH4/c1-5(2,3)7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(4,12)13;1-5(2,3)7(14,10(19,20)11(21,22)23)9(17,18)8(15,16)6(4,12)13;1-5(2,3)7(13,8(14,15)6(4,11)12)9(16,17)10(18,19)20;1-4(2,3)5(10,11)6(12,13)7(14,15)8(16,17)9(18,19)20;1-5(2,3)7(12,13)9(16,17)8(14,15)6(4,10)11;1-5(2,3)7(12,6(4,10)11)8(13,14)9(15,16)17;1-5(2,3)7(6(4,10)11,8(12,13)14)9(15,16)17;1-5(2,3)7(11,12)8(13,14)6(4,9)10;1-5(2,3)7(11,6(4,9)10)8(12,13)14;1-5(2,3)7(10,11)6(4,8)9;1-5(2,3)6(4,7)8;/h2*1-4H3;1-4H3;1-3H3;3*1-4H3;2*1-4H3;1-4H3;1-4H3;1H4
• InChIKey: GAABZHIUKWRMCT-UHFFFAOYSA-N
• XLogP: 50.64
• TPSA: 0.00 Ų
• Rotatable Bonds: 25
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2963.97
LogP ≤ 5	50.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane?

The IUPAC name of 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane (CID 158193185) is 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane.

What is the SMILES notation for 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane?

The canonical SMILES for 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane is C.CC(C)(C)C(C(C)(F)F)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(C)(F)F.CC(C)(C)C(F)(C(C)(F)F)C(F)(F)C(F)(F)F.CC(C)(C)C(F)(C(C)(F)F)C(F)(F)F.CC(C)(C)C(F)(C(F)(F)C(C)(F)F)C(F)(F)C(F)(F)F.CC(C)(C)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(C)(F)F.CC(C)(C)C(F)(F)C(C)(F)F.CC(C)(C)C(F)(F)C(F)(F)C(C)(F)F.CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane?

The InChIKey is GAABZHIUKWRMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12F12.C10H12F10.C9H9F11.3C9H12F8.2C8H12F6.C7H12F4.C6H12F2.CH4/c1-5(2,3)7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(4,12)13;1-5(2,3)7(14,10(19,20)11(21,22)23)9(17,18)8(15,16)6(4,12)13;1-5(2,3)7(13,8(14,15)6(4,11)12)9(16,17)10(18,19)20;1-4(2,3)5(10,11)6(12,13)7(14,15)8(16,17)9(18,19)20;1-5(2,3)7(12,13)9(16,17)8(14,15)6(4,10)11;1-5(2,3)7(12,6(4,10)11)8(13,14)9(15,16)17;1-5(2,3)7(6(4,10)11,8(12,13)14)9(15,16)17;1-5(2,3)7(11,12)8(13,14)6(4,9)10;1-5(2,3)7(11,6(4,9)10)8(12,13)14;1-5(2,3)7(10,11)6(4,8)9;1-5(2,3)6(4,7)8;/h2*1-4H3;1-4H3;1-3H3;3*1-4H3;2*1-4H3;1-4H3;1-4H3;1H4.

What are the key properties of 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane?

3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane has a molecular weight of 2963.97 g/mol, XLogP of 50.64, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane is sourced from PubChem (CID 158193185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).