butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane

C84H191F13 — CID 160954720

About butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane

butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane (PubChem CID 160954720) has the molecular formula C84H191F13 and a molecular weight of 1448.43 g/mol. Its IUPAC name is butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

• Compound Name: butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane
• PubChem CID: 160954720
• Molecular Formula: C84H191F13
• Molecular Weight: 1448.43 g/mol
• Exact Mass: 1447.47
• IUPAC Name: butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)C(F)(F)F.CCC.CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C(F)(F)F.CCC(F)(F)CC.CCCC.CCCC(C)(F)F.CCCC(C)(F)F.CCCC(C)F.CCCCC.CCCCC.CCCCC
• InChI: InChI=1S/C6H14.C5H9F3.3C5H10F2.C5H11F.6C5H12.C4H7F3.4C4H10.C3H8/c1-5-6(2,3)4;1-3-4(2)5(6,7)8;2*1-3-4-5(2,6)7;1-3-5(6,7)4-2;1-3-4-5(2)6;3*1-4-5(2)3;3*1-3-5-4-2;1-3(2)4(5,6)7;3*1-4(2)3;1-3-4-2;1-3-2/h5H2,1-4H3;4H,3H2,1-2H3;3*3-4H2,1-2H3;5H,3-4H2,1-2H3;3*5H,4H2,1-3H3;3*3-5H2,1-2H3;3H,1-2H3;3*4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3
• InChIKey: SWFRXDNZHDUHFL-UHFFFAOYSA-N
• XLogP: 37.67
• TPSA: 0.00 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1448.43
LogP ≤ 5	37.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?

The IUPAC name of butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane (CID 160954720) is butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane.

What is the SMILES notation for butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?

The canonical SMILES for butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane is CC(C)C.CC(C)C.CC(C)C.CC(C)C(F)(F)F.CCC.CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C(F)(F)F.CCC(F)(F)CC.CCCC.CCCC(C)(F)F.CCCC(C)(F)F.CCCC(C)F.CCCCC.CCCCC.CCCCC.

What is the InChIKey of butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?

The InChIKey is SWFRXDNZHDUHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H9F3.3C5H10F2.C5H11F.6C5H12.C4H7F3.4C4H10.C3H8/c1-5-6(2,3)4;1-3-4(2)5(6,7)8;2*1-3-4-5(2,6)7;1-3-5(6,7)4-2;1-3-4-5(2)6;3*1-4-5(2)3;3*1-3-5-4-2;1-3(2)4(5,6)7;3*1-4(2)3;1-3-4-2;1-3-2/h5H2,1-4H3;4H,3H2,1-2H3;3*3-4H2,1-2H3;5H,3-4H2,1-2H3;3*5H,4H2,1-3H3;3*3-5H2,1-2H3;3H,1-2H3;3*4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3.

What are the key properties of butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane?

butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane has a molecular weight of 1448.43 g/mol, XLogP of 37.67, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for butane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;2-fluoropentane;tris(2-methylbutane);tris(2-methylpropane);tris(pentane);propane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 160954720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).