3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane

C78H166F18 — CID 161456719

About 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane

3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane (PubChem CID 161456719) has the molecular formula C78H166F18 and a molecular weight of 1450.17 g/mol. Its IUPAC name is 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane.

Molecular Properties

• Compound Name: 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane
• PubChem CID: 161456719
• Molecular Formula: C78H166F18
• Molecular Weight: 1450.17 g/mol
• Exact Mass: 1449.30
• IUPAC Name: 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane
• SMILES: CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C(F)(F)F.CCC(C)C(F)F.CCC(C)CF.CCCC(C)(C)C.CCCC(C)C.CCCC(C)C(F)(F)F.CCCC(C)C(F)F.CCCC(C)CF.[2H]C([2H])(C)C(C)C(F)(F)F.[2H]C([2H])(C)CC(C)C(F)(F)F
• InChI: InChI=1S/C7H16.2C6H11F3.C6H12F2.C6H13F.2C6H14.2C5H9F3.C5H10F2.C5H11F.3C5H12/c1-5-6-7(2,3)4;2*1-3-4-5(2)6(7,8)9;1-3-4-5(2)6(7)8;1-3-4-6(2)5-7;1-5-6(2,3)4;1-4-5-6(2)3;2*1-3-4(2)5(6,7)8;1-3-4(2)5(6)7;1-3-5(2)4-6;3*1-4-5(2)3/h5-6H2,1-4H3;2*5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3;5H2,1-4H3;6H,4-5H2,1-3H3;2*4H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,3-4H2,1-2H3;3*5H,4H2,1-3H3/i;3D2;;;;;;3D2
• InChIKey: WBGCLSBBVVKTHW-IMEUVPPZSA-N
• XLogP: 34.41
• TPSA: 0.00 Ų
• Rotatable Bonds: 22
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1450.17
LogP ≤ 5	34.41
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;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane?

The IUPAC name of 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane (CID 161456719) is 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane.

What is the SMILES notation for 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane?

The canonical SMILES for 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane is CCC(C)(C)C.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C(F)(F)F.CCC(C)C(F)F.CCC(C)CF.CCCC(C)(C)C.CCCC(C)C.CCCC(C)C(F)(F)F.CCCC(C)C(F)F.CCCC(C)CF.[2H]C([2H])(C)C(C)C(F)(F)F.[2H]C([2H])(C)CC(C)C(F)(F)F.

What is the InChIKey of 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane?

The InChIKey is WBGCLSBBVVKTHW-IMEUVPPZSA-N. The full InChI is InChI=1S/C7H16.2C6H11F3.C6H12F2.C6H13F.2C6H14.2C5H9F3.C5H10F2.C5H11F.3C5H12/c1-5-6-7(2,3)4;2*1-3-4-5(2)6(7,8)9;1-3-4-5(2)6(7)8;1-3-4-6(2)5-7;1-5-6(2,3)4;1-4-5-6(2)3;2*1-3-4(2)5(6,7)8;1-3-4(2)5(6)7;1-3-5(2)4-6;3*1-4-5(2)3/h5-6H2,1-4H3;2*5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3;5H2,1-4H3;6H,4-5H2,1-3H3;2*4H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,3-4H2,1-2H3;3*5H,4H2,1-3H3/i;3D2;;;;;;3D2;;;;;;.

What are the key properties of 3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane?

3,3-dideuterio-1,1,1-trifluoro-2-methylbutane;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane has a molecular weight of 1450.17 g/mol, XLogP of 34.41, 22 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;4,4-dideuterio-1,1,1-trifluoro-2-methylpentane;1,1-difluoro-2-methylbutane;1,1-difluoro-2-methylpentane;2,2-dimethylbutane;2,2-dimethylpentane;1-fluoro-2-methylbutane;1-fluoro-2-methylpentane;tris(2-methylbutane);2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane is sourced from PubChem (CID 161456719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).