(1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane

C70H100F40 — CID 161074392

About (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane

(1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane (PubChem CID 161074392) has the molecular formula C70H100F40 and a molecular weight of 1703.50 g/mol. Its IUPAC name is (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane.

Molecular Properties

• Compound Name: (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane
• PubChem CID: 161074392
• Molecular Formula: C70H100F40
• Molecular Weight: 1703.50 g/mol
• Exact Mass: 1702.73
• IUPAC Name: (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane
• SMILES: CC1C(C(F)(F)F)C(C)[C@@H](C)C1C(F)(F)F.CC1C(F)C(F)[C@@H](C)C1F.CC1CC(C(F)(F)F)C(C)C(C(F)(F)F)C1.CC1CC(C(F)(F)F)CC(C(F)(F)F)C1.CC1CCCC(C(F)(F)F)[C@@H]1C.C[C@H]1C(F)(F)C(C)(F)C(F)(F)C1(F)F.[2H]C1(C)CC(C(F)(F)F)CC(C(F)(F)F)C1.[2H][C@@]1(C)C(C)CCCC1C(F)(F)F
• InChI: InChI=1S/2C10H14F6.2C9H12F6.2C9H15F3.C7H7F7.C7H11F3/c1-5-3-7(9(11,12)13)6(2)8(4-5)10(14,15)16;1-4-5(2)8(10(14,15)16)6(3)7(4)9(11,12)13;2*1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;2*1-6-4-3-5-8(7(6)2)9(10,11)12;1-3-5(9,10)4(2,8)7(13,14)6(3,11)12;1-3-5(8)4(2)7(10)6(3)9/h5-8H,3-4H2,1-2H3;4-8H,1-3H3;2*5-7H,2-4H2,1H3;2*6-8H,3-5H2,1-2H3;3H,1-2H3;3-7H,1-2H3/t;4-,5?,6?,7?,8?;;;2*6?,7-,8?;3-,4?;3-,4?,5?,6?,7?/m.1..1100/s1/i;;5D;;7D
• InChIKey: UFBMQXYQHSCJIX-CHMAYJBOSA-N
• XLogP: 29.80
• TPSA: 0.00 Ų
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1703.50
LogP ≤ 5	29.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane?

The IUPAC name of (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane (CID 161074392) is (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane.

What is the SMILES notation for (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane?

The canonical SMILES for (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane is CC1C(C(F)(F)F)C(C)[C@@H](C)C1C(F)(F)F.CC1C(F)C(F)[C@@H](C)C1F.CC1CC(C(F)(F)F)C(C)C(C(F)(F)F)C1.CC1CC(C(F)(F)F)CC(C(F)(F)F)C1.CC1CCCC(C(F)(F)F)[C@@H]1C.C[C@H]1C(F)(F)C(C)(F)C(F)(F)C1(F)F.[2H]C1(C)CC(C(F)(F)F)CC(C(F)(F)F)C1.[2H][C@@]1(C)C(C)CCCC1C(F)(F)F.

What is the InChIKey of (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane?

The InChIKey is UFBMQXYQHSCJIX-CHMAYJBOSA-N. The full InChI is InChI=1S/2C10H14F6.2C9H12F6.2C9H15F3.C7H7F7.C7H11F3/c1-5-3-7(9(11,12)13)6(2)8(4-5)10(14,15)16;1-4-5(2)8(10(14,15)16)6(3)7(4)9(11,12)13;2*1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;2*1-6-4-3-5-8(7(6)2)9(10,11)12;1-3-5(9,10)4(2,8)7(13,14)6(3,11)12;1-3-5(8)4(2)7(10)6(3)9/h5-8H,3-4H2,1-2H3;4-8H,1-3H3;2*5-7H,2-4H2,1H3;2*6-8H,3-5H2,1-2H3;3H,1-2H3;3-7H,1-2H3/t;4-,5?,6?,7?,8?;;;2*6?,7-,8?;3-,4?;3-,4?,5?,6?,7?/m.1..1100/s1/i;;5D;;7D;;;.

What are the key properties of (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane?

(1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane has a molecular weight of 1703.50 g/mol, XLogP of 29.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-deuterio-1,2-dimethyl-6-(trifluoromethyl)cyclohexane;1-deuterio-1-methyl-3,5-bis(trifluoromethyl)cyclohexane;2,5-dimethyl-1,3-bis(trifluoromethyl)cyclohexane;(2R)-1,2-dimethyl-3-(trifluoromethyl)cyclohexane;(5S)-1,1,2,2,3,4,4-heptafluoro-3,5-dimethylcyclopentane;1-methyl-3,5-bis(trifluoromethyl)cyclohexane;(3S)-1,2,4-trifluoro-3,5-dimethylcyclopentane;(2R)-1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopentane is sourced from PubChem (CID 161074392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).