butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane

C49H110F12 — CID 163680100

About butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane

butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane (PubChem CID 163680100) has the molecular formula C49H110F12 and a molecular weight of 931.42 g/mol. Its IUPAC name is butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

• Compound Name: butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane
• PubChem CID: 163680100
• Molecular Formula: C49H110F12
• Molecular Weight: 931.42 g/mol
• Exact Mass: 930.87
• IUPAC Name: butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane
• SMILES: CC.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.[2H]C(C)(C)C.[2H]C(C)(C)C(F)(F)F.[2H]C([2H])(C)CC
• InChI: InChI=1S/2C5H9F3.2C5H12.2C4H7F3.4C4H10.C3H8.C2H6/c1-4(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/h1-3H3;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/i;;;;3D;;4D;;3D2
• InChIKey: JKCIJHOVYMMKAZ-ZKXNVRAQSA-N
• XLogP: 23.23
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.42
LogP ≤ 5	23.23
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-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?

The IUPAC name of butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane (CID 163680100) is butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane.

What is the SMILES notation for butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?

The canonical SMILES for butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane is CC.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.[2H]C(C)(C)C.[2H]C(C)(C)C(F)(F)F.[2H]C([2H])(C)CC.

What is the InChIKey of butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?

The InChIKey is JKCIJHOVYMMKAZ-ZKXNVRAQSA-N. The full InChI is InChI=1S/2C5H9F3.2C5H12.2C4H7F3.4C4H10.C3H8.C2H6/c1-4(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/h1-3H3;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/i;;;;3D;;4D;;3D2;;;.

What are the key properties of butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?

butane;2-deuterio-2-methylpropane;2-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane has a molecular weight of 931.42 g/mol, XLogP of 23.23, 6 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-deuterio-1,1,1-trifluoro-2-methylpropane;2,2-dideuteriobutane;ethane;2-methylbutane;2-methylpropane;pentane;propane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 163680100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).