3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)

C60H115F21 — CID 158012610

About 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)

3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) (PubChem CID 158012610) has the molecular formula C60H115F21 and a molecular weight of 1235.54 g/mol. Its IUPAC name is 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane).

Molecular Properties

• Compound Name: 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)
• PubChem CID: 158012610
• Molecular Formula: C60H115F21
• Molecular Weight: 1235.54 g/mol
• Exact Mass: 1234.87
• IUPAC Name: 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)
• SMILES: CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(F)(F)F.CC(C)C(C)(C)C(F)(F)F.CC(C)[C@@H](C)C(C)C(F)(F)F.CC(C)[C@@H](C)C(C)C(F)(F)F.CCC(C)(C)CC(F)(F)F.CCC(C)[C@@H](C)C(F)(F)F.CCC(CC)CC(F)(F)F
• InChI: InChI=1S/3C8H15F3.C8H18.4C7H13F3/c1-6(2,3)7(4,5)8(9,10)11;2*1-5(2)6(3)7(4)8(9,10)11;1-7(2,3)8(4,5)6;1-5(2)6(3,4)7(8,9)10;1-4-6(2,3)5-7(8,9)10;1-4-5(2)6(3)7(8,9)10;1-3-6(4-2)5-7(8,9)10/h1-5H3;2*5-7H,1-4H3;1-6H3;5H,1-4H3;4-5H2,1-3H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3/t;2*6-,7?;;;;5?,6-;/m.11...1./s1
• InChIKey: FFBPQJOGXKTRBE-AGILNKSRSA-N
• XLogP: 26.87
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1235.54
LogP ≤ 5	26.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)?

The IUPAC name of 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) (CID 158012610) is 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane).

What is the SMILES notation for 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)?

The canonical SMILES for 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) is CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)C(F)(F)F.CC(C)C(C)(C)C(F)(F)F.CC(C)[C@@H](C)C(C)C(F)(F)F.CC(C)[C@@H](C)C(C)C(F)(F)F.CCC(C)(C)CC(F)(F)F.CCC(C)[C@@H](C)C(F)(F)F.CCC(CC)CC(F)(F)F.

What is the InChIKey of 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)?

The InChIKey is FFBPQJOGXKTRBE-AGILNKSRSA-N. The full InChI is InChI=1S/3C8H15F3.C8H18.4C7H13F3/c1-6(2,3)7(4,5)8(9,10)11;2*1-5(2)6(3)7(4)8(9,10)11;1-7(2,3)8(4,5)6;1-5(2)6(3,4)7(8,9)10;1-4-6(2,3)5-7(8,9)10;1-4-5(2)6(3)7(8,9)10;1-3-6(4-2)5-7(8,9)10/h1-5H3;2*5-7H,1-4H3;1-6H3;5H,1-4H3;4-5H2,1-3H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3/t;2*6-,7?;;;;5?,6-;/m.11...1./s1.

What are the key properties of 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)?

3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) has a molecular weight of 1235.54 g/mol, XLogP of 26.87, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1,1,1-trifluoropentane;2,2,3,3-tetramethylbutane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) is sourced from PubChem (CID 158012610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).