3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane

C66H144F14 — CID 161181688

About 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane

3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane (PubChem CID 161181688) has the molecular formula C66H144F14 and a molecular weight of 1205.86 g/mol. Its IUPAC name is 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane.

Molecular Properties

• Compound Name: 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane
• PubChem CID: 161181688
• Molecular Formula: C66H144F14
• Molecular Weight: 1205.86 g/mol
• Exact Mass: 1205.12
• IUPAC Name: 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane
• SMILES: CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C(F)(F)F.CCC(C)CF.CCC(F)(F)CC.CCCC(C)(F)F.CCCC(C)(F)F.CCCC(C)F.CCCCC.CCCCC.[2H]C([2H])(C)C(C)C(F)(F)F
• InChI: InChI=1S/C6H14.2C5H9F3.3C5H10F2.2C5H11F.5C5H12/c1-5-6(2,3)4;2*1-3-4(2)5(6,7)8;2*1-3-4-5(2,6)7;1-3-5(6,7)4-2;1-3-5(2)4-6;1-3-4-5(2)6;3*1-4-5(2)3;2*1-3-5-4-2/h5H2,1-4H3;2*4H,3H2,1-2H3;3*3-4H2,1-2H3;2*5H,3-4H2,1-2H3;3*5H,4H2,1-3H3;2*3-5H2,1-2H3/i;3D2
• InChIKey: USNSSGGSCOZULP-ZUDSSYDNSA-N
• XLogP: 29.65
• TPSA: 0.00 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1205.86
LogP ≤ 5	29.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

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

The IUPAC name of 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane (CID 161181688) is 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane.

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

The canonical SMILES for 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane is CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C(F)(F)F.CCC(C)CF.CCC(F)(F)CC.CCCC(C)(F)F.CCCC(C)(F)F.CCCC(C)F.CCCCC.CCCCC.[2H]C([2H])(C)C(C)C(F)(F)F.

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

The InChIKey is USNSSGGSCOZULP-ZUDSSYDNSA-N. The full InChI is InChI=1S/C6H14.2C5H9F3.3C5H10F2.2C5H11F.5C5H12/c1-5-6(2,3)4;2*1-3-4(2)5(6,7)8;2*1-3-4-5(2,6)7;1-3-5(6,7)4-2;1-3-5(2)4-6;1-3-4-5(2)6;3*1-4-5(2)3;2*1-3-5-4-2/h5H2,1-4H3;2*4H,3H2,1-2H3;3*3-4H2,1-2H3;2*5H,3-4H2,1-2H3;3*5H,4H2,1-3H3;2*3-5H2,1-2H3/i;3D2;;;;;;;;;;;.

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

3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane has a molecular weight of 1205.86 g/mol, XLogP of 29.65, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;bis(2,2-difluoropentane);3,3-difluoropentane;2,2-dimethylbutane;1-fluoro-2-methylbutane;2-fluoropentane;tris(2-methylbutane);bis(pentane);1,1,1-trifluoro-2-methylbutane is sourced from PubChem (CID 161181688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).