bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane

C74H143F27 — CID 165079605

About bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane

bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane (PubChem CID 165079605) has the molecular formula C74H143F27 and a molecular weight of 1545.90 g/mol. Its IUPAC name is bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane.

Molecular Properties

• Compound Name: bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane
• PubChem CID: 165079605
• Molecular Formula: C74H143F27
• Molecular Weight: 1545.90 g/mol
• Exact Mass: 1545.08
• IUPAC Name: bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane
• SMILES: CC(C)C(C)(C)C(F)(F)F.CC(C)CC(C(F)(F)F)C(F)(F)F.CCC(C)(C)C.CCC(C)(C)C.CCC(C)CC.CCCC(C)(C)C(F)(F)F.CCCCC(C(F)(F)F)C(F)(F)F.CCCCC(C)C.CCCCCCC(F)(F)F.CCC[C@H](C)CC(F)(F)F.CC[C@H](C)C(C)C(F)(F)F
• InChI: InChI=1S/2C7H10F6.5C7H13F3.C7H16.3C6H14/c1-4(2)3-5(6(8,9)10)7(11,12)13;1-2-3-4-5(6(8,9)10)7(11,12)13;1-5(2)6(3,4)7(8,9)10;1-4-5-6(2,3)7(8,9)10;1-4-5(2)6(3)7(8,9)10;1-3-4-6(2)5-7(8,9)10;1-2-3-4-5-6-7(8,9)10;1-4-5-6-7(2)3;2*1-5-6(2,3)4;1-4-6(3)5-2/h4-5H,3H2,1-2H3;5H,2-4H2,1H3;5H,1-4H3;4-5H2,1-3H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3;2-6H2,1H3;7H,4-6H2,1-3H3;2*5H2,1-4H3;6H,4-5H2,1-3H3/t;;;;5-,6?;6-;;;;;/m....00...../s1
• InChIKey: UWYYVRXUVVBCKL-YKUIDFJYSA-N
• XLogP: 34.58
• TPSA: 0.00 Ų
• Rotatable Bonds: 22
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1545.90
LogP ≤ 5	34.58
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-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane?

The IUPAC name of bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane (CID 165079605) is bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane.

What is the SMILES notation for bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane?

The canonical SMILES for bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane is CC(C)C(C)(C)C(F)(F)F.CC(C)CC(C(F)(F)F)C(F)(F)F.CCC(C)(C)C.CCC(C)(C)C.CCC(C)CC.CCCC(C)(C)C(F)(F)F.CCCCC(C(F)(F)F)C(F)(F)F.CCCCC(C)C.CCCCCCC(F)(F)F.CCC[C@H](C)CC(F)(F)F.CC[C@H](C)C(C)C(F)(F)F.

What is the InChIKey of bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane?

The InChIKey is UWYYVRXUVVBCKL-YKUIDFJYSA-N. The full InChI is InChI=1S/2C7H10F6.5C7H13F3.C7H16.3C6H14/c1-4(2)3-5(6(8,9)10)7(11,12)13;1-2-3-4-5(6(8,9)10)7(11,12)13;1-5(2)6(3,4)7(8,9)10;1-4-5-6(2,3)7(8,9)10;1-4-5(2)6(3)7(8,9)10;1-3-4-6(2)5-7(8,9)10;1-2-3-4-5-6-7(8,9)10;1-4-5-6-7(2)3;2*1-5-6(2,3)4;1-4-6(3)5-2/h4-5H,3H2,1-2H3;5H,2-4H2,1H3;5H,1-4H3;4-5H2,1-3H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3;2-6H2,1H3;7H,4-6H2,1-3H3;2*5H2,1-4H3;6H,4-5H2,1-3H3/t;;;;5-,6?;6-;;;;;/m....00...../s1.

What are the key properties of bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane?

bis(2,2-dimethylbutane);2-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane has a molecular weight of 1545.90 g/mol, XLogP of 34.58, 22 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-methylhexane;3-methylpentane;1,1,1-trifluoro-2,2-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoroheptane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane is sourced from PubChem (CID 165079605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).