bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane

C81H149F39 — CID 165069057

About bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane

bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane (PubChem CID 165069057) has the molecular formula C81H149F39 and a molecular weight of 1864.00 g/mol. Its IUPAC name is bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane.

Molecular Properties

• Compound Name: bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane
• PubChem CID: 165069057
• Molecular Formula: C81H149F39
• Molecular Weight: 1864.00 g/mol
• Exact Mass: 1863.10
• IUPAC Name: bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane
• SMILES: CC(C)(C(F)(F)F)C(F)(F)F.CC(C)C(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)CC.CCCC(C(F)(F)F)C(F)(F)F.CCCCC(C(F)(F)F)C(F)(F)F.CCCCCC(F)(F)F.CCCCCCC(F)(F)F.CCCC[C@H](C)C(F)(F)F.CCC[C@H](C)C(F)(F)F.CCC[C@H](C)CC(F)(F)F.C[C@@H](CCC(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C7H10F6.3C7H13F3.2C6H8F6.2C6H11F3.4C6H14.C5H6F6/c1-2-3-4-5(6(8,9)10)7(11,12)13;1-3-4-6(2)5-7(8,9)10;1-3-4-5-6(2)7(8,9)10;1-2-3-4-5-6-7(8,9)10;1-4(6(10,11)12)2-3-5(7,8)9;1-2-3-4(5(7,8)9)6(10,11)12;1-3-4-5(2)6(7,8)9;1-2-3-4-5-6(7,8)9;2*1-5-6(2,3)4;1-5(2)6(3)4;1-4-6(3)5-2;1-3(2,4(6,7)8)5(9,10)11/h5H,2-4H2,1H3;2*6H,3-5H2,1-2H3;2-6H2,1H3;2*4H,2-3H2,1H3;5H,3-4H2,1-2H3;2-5H2,1H3;2*5H2,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3;1-2H3/t;2*6-;;4-;;5-;;;;;;/m.00.0.0....../s1
• InChIKey: SLJNFDSMZZESQB-UNRJWKKESA-N
• XLogP: 40.12
• TPSA: 0.00 Ų
• Rotatable Bonds: 25
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1864.00
LogP ≤ 5	40.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane?

The IUPAC name of bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane (CID 165069057) is bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane.

What is the SMILES notation for bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane?

The canonical SMILES for bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane is CC(C)(C(F)(F)F)C(F)(F)F.CC(C)C(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)CC.CCCC(C(F)(F)F)C(F)(F)F.CCCCC(C(F)(F)F)C(F)(F)F.CCCCCC(F)(F)F.CCCCCCC(F)(F)F.CCCC[C@H](C)C(F)(F)F.CCC[C@H](C)C(F)(F)F.CCC[C@H](C)CC(F)(F)F.C[C@@H](CCC(F)(F)F)C(F)(F)F.

What is the InChIKey of bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane?

The InChIKey is SLJNFDSMZZESQB-UNRJWKKESA-N. The full InChI is InChI=1S/C7H10F6.3C7H13F3.2C6H8F6.2C6H11F3.4C6H14.C5H6F6/c1-2-3-4-5(6(8,9)10)7(11,12)13;1-3-4-6(2)5-7(8,9)10;1-3-4-5-6(2)7(8,9)10;1-2-3-4-5-6-7(8,9)10;1-4(6(10,11)12)2-3-5(7,8)9;1-2-3-4(5(7,8)9)6(10,11)12;1-3-4-5(2)6(7,8)9;1-2-3-4-5-6(7,8)9;2*1-5-6(2,3)4;1-5(2)6(3)4;1-4-6(3)5-2;1-3(2,4(6,7)8)5(9,10)11/h5H,2-4H2,1H3;2*6H,3-5H2,1-2H3;2-6H2,1H3;2*4H,2-3H2,1H3;5H,3-4H2,1-2H3;2-5H2,1H3;2*5H2,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3;1-2H3/t;2*6-;;4-;;5-;;;;;;/m.00.0.0....../s1.

What are the key properties of bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane?

bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane has a molecular weight of 1864.00 g/mol, XLogP of 40.12, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,2-dimethylbutane);2,3-dimethylbutane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;(2S)-1,1,1,5,5,5-hexafluoro-2-methylpentane;3-methylpentane;1,1,1-trifluoroheptane;1,1,1-trifluorohexane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;(2S)-1,1,1-trifluoro-2-methylpentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2-(trifluoromethyl)pentane is sourced from PubChem (CID 165069057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).