2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane

C70H137F15 — CID 158320647

About 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane

2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane (PubChem CID 158320647) has the molecular formula C70H137F15 and a molecular weight of 1265.85 g/mol. Its IUPAC name is 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane.

Molecular Properties

• Compound Name: 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane
• PubChem CID: 158320647
• Molecular Formula: C70H137F15
• Molecular Weight: 1265.85 g/mol
• Exact Mass: 1265.06
• IUPAC Name: 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane
• SMILES: CC1CC(C(F)(F)F)C[C@@H](C)C1.CC1CCC(C)C1C.CC1CCCC(C(F)(F)F)[C@@H]1C.CC1C[C@H](C)CC1C(F)(F)F.CCC(C)(C)C.CCC(C)C(F)(F)F.CCCC(C)(C)C.CCCC(C)C.CCCC(C)C(F)(F)F.[2H]C([2H])(C)C(C)(C)C
• InChI: InChI=1S/2C9H15F3.C8H13F3.C8H16.C7H16.C6H11F3.3C6H14.C5H9F3/c1-6-3-7(2)5-8(4-6)9(10,11)12;1-6-4-3-5-8(7(6)2)9(10,11)12;1-5-3-6(2)7(4-5)8(9,10)11;1-6-4-5-7(2)8(6)3;1-5-6-7(2,3)4;1-3-4-5(2)6(7,8)9;2*1-5-6(2,3)4;1-4-5-6(2)3;1-3-4(2)5(6,7)8/h2*6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;6-8H,4-5H2,1-3H3;5-6H2,1-4H3;5H,3-4H2,1-2H3;2*5H2,1-4H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3/t6-,7?,8?;6?,7-,8?;5-,6?,7?;;;;;;;/m010......./s1/i;;;;;;5D2
• InChIKey: GOUNJMKAFMJGAU-IHLFFFSCSA-N
• XLogP: 28.90
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1265.85
LogP ≤ 5	28.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane?

The IUPAC name of 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane (CID 158320647) is 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane.

What is the SMILES notation for 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane?

The canonical SMILES for 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane is CC1CC(C(F)(F)F)C[C@@H](C)C1.CC1CCC(C)C1C.CC1CCCC(C(F)(F)F)[C@@H]1C.CC1C[C@H](C)CC1C(F)(F)F.CCC(C)(C)C.CCC(C)C(F)(F)F.CCCC(C)(C)C.CCCC(C)C.CCCC(C)C(F)(F)F.[2H]C([2H])(C)C(C)(C)C.

What is the InChIKey of 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane?

The InChIKey is GOUNJMKAFMJGAU-IHLFFFSCSA-N. The full InChI is InChI=1S/2C9H15F3.C8H13F3.C8H16.C7H16.C6H11F3.3C6H14.C5H9F3/c1-6-3-7(2)5-8(4-6)9(10,11)12;1-6-4-3-5-8(7(6)2)9(10,11)12;1-5-3-6(2)7(4-5)8(9,10)11;1-6-4-5-7(2)8(6)3;1-5-6-7(2,3)4;1-3-4-5(2)6(7,8)9;2*1-5-6(2,3)4;1-4-5-6(2)3;1-3-4(2)5(6,7)8/h2*6-8H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;6-8H,4-5H2,1-3H3;5-6H2,1-4H3;5H,3-4H2,1-2H3;2*5H2,1-4H3;6H,4-5H2,1-3H3;4H,3H2,1-2H3/t6-,7?,8?;6?,7-,8?;5-,6?,7?;;;;;;;/m010......./s1/i;;;;;;5D2;;;.

What are the key properties of 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane?

2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane has a molecular weight of 1265.85 g/mol, XLogP of 28.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dideuterio-3,3-dimethylbutane;2,2-dimethylbutane;2,2-dimethylpentane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(3S)-1,3-dimethyl-5-(trifluoromethyl)cyclohexane;(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;2-methylpentane;1,1,1-trifluoro-2-methylbutane;1,1,1-trifluoro-2-methylpentane;1,2,3-trimethylcyclopentane is sourced from PubChem (CID 158320647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).