1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane

C74H147F17 — CID 163957731

About 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane

1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane (PubChem CID 163957731) has the molecular formula C74H147F17 and a molecular weight of 1362.97 g/mol. Its IUPAC name is 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane.

Molecular Properties

• Compound Name: 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane
• PubChem CID: 163957731
• Molecular Formula: C74H147F17
• Molecular Weight: 1362.97 g/mol
• Exact Mass: 1362.14
• IUPAC Name: 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane
• SMILES: CC1CCC(C)C1C.CC1C[C@H](C)CC1C(F)(F)F.CCC(C)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(F)(F)F.CCC(F)(F)C(C)C.CCCC(C)(C)C.CCCC(C)(C)C.CCCC(C)C(F)F.CCCC(C)CF.[2H]C([2H])(C)C(C)(C)C.[2H]C1(C)C(C)CCC1C
• InChI: InChI=1S/C8H13F3.2C8H16.2C7H16.C6H8F6.C6H11F3.2C6H12F2.C6H13F.C6H14/c1-5-3-6(2)7(4-5)8(9,10)11;2*1-6-4-5-7(2)8(6)3;2*1-5-6-7(2,3)4;1-3-4(2,5(7,8)9)6(10,11)12;1-4-5(2,3)6(7,8)9;1-4-6(7,8)5(2)3;1-3-4-5(2)6(7)8;1-3-4-6(2)5-7;1-5-6(2,3)4/h5-7H,3-4H2,1-2H3;2*6-8H,4-5H2,1-3H3;2*5-6H2,1-4H3;3H2,1-2H3;4H2,1-3H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3;5H2,1-4H3/t5-,6?,7?;;;;;;;;;;/m0........../s1/i;8D;;;;;;;;;5D2
• InChIKey: SEWIQTNKDOPBKX-GTYRWEKLSA-N
• XLogP: 31.00
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1362.97
LogP ≤ 5	31.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane?

The IUPAC name of 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane (CID 163957731) is 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane.

What is the SMILES notation for 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane?

The canonical SMILES for 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane is CC1CCC(C)C1C.CC1C[C@H](C)CC1C(F)(F)F.CCC(C)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(F)(F)F.CCC(F)(F)C(C)C.CCCC(C)(C)C.CCCC(C)(C)C.CCCC(C)C(F)F.CCCC(C)CF.[2H]C([2H])(C)C(C)(C)C.[2H]C1(C)C(C)CCC1C.

What is the InChIKey of 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane?

The InChIKey is SEWIQTNKDOPBKX-GTYRWEKLSA-N. The full InChI is InChI=1S/C8H13F3.2C8H16.2C7H16.C6H8F6.C6H11F3.2C6H12F2.C6H13F.C6H14/c1-5-3-6(2)7(4-5)8(9,10)11;2*1-6-4-5-7(2)8(6)3;2*1-5-6-7(2,3)4;1-3-4(2,5(7,8)9)6(10,11)12;1-4-5(2,3)6(7,8)9;1-4-6(7,8)5(2)3;1-3-4-5(2)6(7)8;1-3-4-6(2)5-7;1-5-6(2,3)4/h5-7H,3-4H2,1-2H3;2*6-8H,4-5H2,1-3H3;2*5-6H2,1-4H3;3H2,1-2H3;4H2,1-3H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3;5H2,1-4H3/t5-,6?,7?;;;;;;;;;;/m0........../s1/i;8D;;;;;;;;;5D2.

What are the key properties of 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane?

1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane has a molecular weight of 1362.97 g/mol, XLogP of 31.00, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-deuterio-1,2,5-trimethylcyclopentane;2,2-dideuterio-3,3-dimethylbutane;1,1-difluoro-2-methylpentane;3,3-difluoro-2-methylpentane;bis(2,2-dimethylpentane);(4S)-1,4-dimethyl-2-(trifluoromethyl)cyclopentane;1-fluoro-2-methylpentane;1,1,1-trifluoro-2,2-dimethylbutane;1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)butane;1,2,3-trimethylcyclopentane is sourced from PubChem (CID 163957731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).