butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane

C85H175F27 — CID 163620302

About butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane

butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane (PubChem CID 163620302) has the molecular formula C85H175F27 and a molecular weight of 1716.32 g/mol. Its IUPAC name is butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane.

Molecular Properties

• Compound Name: butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane
• PubChem CID: 163620302
• Molecular Formula: C85H175F27
• Molecular Weight: 1716.32 g/mol
• Exact Mass: 1715.36
• IUPAC Name: butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane
• SMILES: CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(F)(F)F.CC(C)C.CC(C)C(F)(F)F.CCC.CCC(C)C.CCC(C)C(F)(F)F.CCCC.CCCCC.CCCCCC(F)(F)F.CC[C@H](C)CC(F)(F)F.CC[C@H](C)CC(F)(F)F.[2H]C(C)(C)C.[2H]C(C)(C)C(F)(F)F.[2H]C([2H])(C)CC.[2H]C1(C)CCCC1.[2H]C1(C)CCCCC1
• InChI: InChI=1S/C7H14.3C6H11F3.C6H12.C5H6F6.2C5H9F3.2C5H12.2C4H7F3.4C4H10.C3H8.C2H6/c1-7-5-3-2-4-6-7;2*1-3-5(2)4-6(7,8)9;1-2-3-4-5-6(7,8)9;1-6-4-2-3-5-6;1-3(2,4(6,7)8)5(9,10)11;1-4(2,3)5(6,7)8;1-3-4(2)5(6,7)8;1-4-5(2)3;1-3-5-4-2;2*1-3(2)4(5,6)7;2*1-4(2)3;2*1-3-4-2;1-3-2;1-2/h7H,2-6H2,1H3;2*5H,3-4H2,1-2H3;2-5H2,1H3;6H,2-5H2,1H3;1-2H3;1-3H3;4H,3H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;2*3H,1-2H3;2*4H,1-3H3;2*3-4H2,1-2H3;3H2,1-2H3;1-2H3/t;2*5-;;;;;;;;;;;;;;;/m.00.............../s1/i7D;;;;6D;;;;;;3D;;4D;;3D2
• InChIKey: HNNRZARUWMLRFG-SQSOQBMBSA-N
• XLogP: 40.25
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1716.32
LogP ≤ 5	40.25
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 butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane?

The IUPAC name of butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane (CID 163620302) is butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane.

What is the SMILES notation for butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane?

The canonical SMILES for butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane is CC.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C(F)(F)F.CC(C)C.CC(C)C(F)(F)F.CCC.CCC(C)C.CCC(C)C(F)(F)F.CCCC.CCCCC.CCCCCC(F)(F)F.CC[C@H](C)CC(F)(F)F.CC[C@H](C)CC(F)(F)F.[2H]C(C)(C)C.[2H]C(C)(C)C(F)(F)F.[2H]C([2H])(C)CC.[2H]C1(C)CCCC1.[2H]C1(C)CCCCC1.

What is the InChIKey of butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane?

The InChIKey is HNNRZARUWMLRFG-SQSOQBMBSA-N. The full InChI is InChI=1S/C7H14.3C6H11F3.C6H12.C5H6F6.2C5H9F3.2C5H12.2C4H7F3.4C4H10.C3H8.C2H6/c1-7-5-3-2-4-6-7;2*1-3-5(2)4-6(7,8)9;1-2-3-4-5-6(7,8)9;1-6-4-2-3-5-6;1-3(2,4(6,7)8)5(9,10)11;1-4(2,3)5(6,7)8;1-3-4(2)5(6,7)8;1-4-5(2)3;1-3-5-4-2;2*1-3(2)4(5,6)7;2*1-4(2)3;2*1-3-4-2;1-3-2;1-2/h7H,2-6H2,1H3;2*5H,3-4H2,1-2H3;2-5H2,1H3;6H,2-5H2,1H3;1-2H3;1-3H3;4H,3H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;2*3H,1-2H3;2*4H,1-3H3;2*3-4H2,1-2H3;3H2,1-2H3;1-2H3/t;2*5-;;;;;;;;;;;;;;;/m.00.............../s1/i7D;;;;6D;;;;;;3D;;4D;;3D2;;;.

What are the key properties of butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane?

butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane has a molecular weight of 1716.32 g/mol, XLogP of 40.25, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for butane;1-deuterio-1-methylcyclohexane;1-deuterio-1-methylcyclopentane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluorohexane;1,1,1-trifluoro-2-methylbutane;bis((3S)-1,1,1-trifluoro-3-methylpentane);1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 163620302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).