butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane)

C67H150F12 — CID 161473561

About butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane)

butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane) (PubChem CID 161473561) has the molecular formula C67H150F12 and a molecular weight of 1186.93 g/mol. Its IUPAC name is butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane).

Molecular Properties

• Compound Name: butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane)
• PubChem CID: 161473561
• Molecular Formula: C67H150F12
• Molecular Weight: 1186.93 g/mol
• Exact Mass: 1186.17
• IUPAC Name: butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane)
• SMILES: CC.CC(C)C.CCC.CCC(C)C.CCC(C)C(F)(F)F.CCCC.CCCC(C)(C)C.CCCC(C)C.CCCC(C)C(F)(F)F.CCCCC.CC[C@H](C)CC(F)(F)F.CC[C@H](C)CC(F)(F)F.[2H]C(C)(C)C.[2H]C([2H])(C)CC
• InChI: InChI=1S/C7H16.3C6H11F3.C6H14.C5H9F3.2C5H12.4C4H10.C3H8.C2H6/c1-5-6-7(2,3)4;2*1-3-5(2)4-6(7,8)9;1-3-4-5(2)6(7,8)9;1-4-5-6(2)3;1-3-4(2)5(6,7)8;1-4-5(2)3;1-3-5-4-2;2*1-4(2)3;2*1-3-4-2;1-3-2;1-2/h5-6H2,1-4H3;3*5H,3-4H2,1-2H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;2*4H,1-3H3;2*3-4H2,1-2H3;3H2,1-2H3;1-2H3/t;2*5-;;;;;;;;;;;/m.00.........../s1/i;;;;;;;;4D;;3D2
• InChIKey: WDKHNWIUJZIATQ-UCHDNNJMSA-N
• XLogP: 30.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1186.93
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane)?

The IUPAC name of butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane) (CID 161473561) is butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane).

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

The canonical SMILES for butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane) is CC.CC(C)C.CCC.CCC(C)C.CCC(C)C(F)(F)F.CCCC.CCCC(C)(C)C.CCCC(C)C.CCCC(C)C(F)(F)F.CCCCC.CC[C@H](C)CC(F)(F)F.CC[C@H](C)CC(F)(F)F.[2H]C(C)(C)C.[2H]C([2H])(C)CC.

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

The InChIKey is WDKHNWIUJZIATQ-UCHDNNJMSA-N. The full InChI is InChI=1S/C7H16.3C6H11F3.C6H14.C5H9F3.2C5H12.4C4H10.C3H8.C2H6/c1-5-6-7(2,3)4;2*1-3-5(2)4-6(7,8)9;1-3-4-5(2)6(7,8)9;1-4-5-6(2)3;1-3-4(2)5(6,7)8;1-4-5(2)3;1-3-5-4-2;2*1-4(2)3;2*1-3-4-2;1-3-2;1-2/h5-6H2,1-4H3;3*5H,3-4H2,1-2H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;2*4H,1-3H3;2*3-4H2,1-2H3;3H2,1-2H3;1-2H3/t;2*5-;;;;;;;;;;;/m.00.........../s1/i;;;;;;;;4D;;3D2;;;.

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

butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane) has a molecular weight of 1186.93 g/mol, XLogP of 30.45, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for butane;2-deuterio-2-methylpropane;2,2-dideuteriobutane;2,2-dimethylpentane;ethane;2-methylbutane;2-methylpentane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;bis((3S)-1,1,1-trifluoro-3-methylpentane) is sourced from PubChem (CID 161473561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).