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

C85H162F30 — CID 165066436

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

3-ethyl-1,1,1-trifluoropentane;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) (PubChem CID 165066436) has the molecular formula C85H162F30 and a molecular weight of 1754.17 g/mol. Its IUPAC name is 3-ethyl-1,1,1-trifluoropentane;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;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;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)
• PubChem CID: 165066436
• Molecular Formula: C85H162F30
• Molecular Weight: 1754.17 g/mol
• Exact Mass: 1753.22
• IUPAC Name: 3-ethyl-1,1,1-trifluoropentane;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;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(F)(F)F.CC(C)(C)C(C)(C)C(F)(F)F.CC(C)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)C.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.CCCC(C)(C)C(F)(F)F
• InChI: InChI=1S/C9H17F3.C9H20.4C8H15F3.5C7H13F3/c1-6(2)8(4,5)7(3)9(10,11)12;1-7(2)8(3)9(4,5)6;2*1-6(2,3)7(4,5)8(9,10)11;2*1-5(2)6(3)7(4)8(9,10)11;1-5(2)6(3,4)7(8,9)10;1-4-6(2,3)5-7(8,9)10;1-4-5-6(2,3)7(8,9)10;1-4-5(2)6(3)7(8,9)10;1-3-6(4-2)5-7(8,9)10/h6-7H,1-5H3;7-8H,1-6H3;2*1-5H3;2*5-7H,1-4H3;5H,1-4H3;2*4-5H2,1-3H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3/t;8-;;;2*6-,7?;;;;5?,6-;/m.1..11...1./s1
• InChIKey: SAQVYTZQDJCIGU-CRPWQKMESA-N
• XLogP: 37.97
• TPSA: 0.00 Ų
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1754.17
LogP ≤ 5	37.97
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;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;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;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) (CID 165066436) is 3-ethyl-1,1,1-trifluoropentane;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;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;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;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;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;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(F)(F)F.CC(C)(C)C(C)(C)C(F)(F)F.CC(C)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)C.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.CCCC(C)(C)C(F)(F)F.

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

The InChIKey is SAQVYTZQDJCIGU-CRPWQKMESA-N. The full InChI is InChI=1S/C9H17F3.C9H20.4C8H15F3.5C7H13F3/c1-6(2)8(4,5)7(3)9(10,11)12;1-7(2)8(3)9(4,5)6;2*1-6(2,3)7(4,5)8(9,10)11;2*1-5(2)6(3)7(4)8(9,10)11;1-5(2)6(3,4)7(8,9)10;1-4-6(2,3)5-7(8,9)10;1-4-5-6(2,3)7(8,9)10;1-4-5(2)6(3)7(8,9)10;1-3-6(4-2)5-7(8,9)10/h6-7H,1-5H3;7-8H,1-6H3;2*1-5H3;2*5-7H,1-4H3;5H,1-4H3;2*4-5H2,1-3H3;5-6H,4H2,1-3H3;6H,3-5H2,1-2H3/t;8-;;;2*6-,7?;;;;5?,6-;/m.1..11...1./s1.

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

3-ethyl-1,1,1-trifluoropentane;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) has a molecular weight of 1754.17 g/mol, XLogP of 37.97, 17 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;(3R)-2,2,3,4-tetramethylpentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;bis(1,1,1-trifluoro-2,2,3,3-tetramethylbutane);1,1,1-trifluoro-2,3,3,4-tetramethylpentane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) is sourced from PubChem (CID 165066436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).