1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene

C80H124F4 — CID 157365827

About 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene

1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene (PubChem CID 157365827) has the molecular formula C80H124F4 and a molecular weight of 1161.86 g/mol. Its IUPAC name is 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene.

Molecular Properties

• Compound Name: 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene
• PubChem CID: 157365827
• Molecular Formula: C80H124F4
• Molecular Weight: 1161.86 g/mol
• Exact Mass: 1160.96
• IUPAC Name: 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene
• SMILES: CC1=C(C)C2(C)CC1(C)C2.CC1=C(C)C2(C)CCC1(C)C2.CC1=C(C)C2(C)CCC1(C)C2(C)C.CC1=C(C)C2(C)CCC1C2(C)C.CC1=C(C)C2(F)CC1(F)C2.CC1=C(C)C2(F)CCC1(F)C2.CC1=C(C)C2CC1C2.CC1=C(C)C2CCC1C2
• InChI: InChI=1S/C13H22.C12H20.C11H18.C10H16.C9H12F2.C9H14.C8H10F2.C8H12/c1-9-10(2)13(6)8-7-12(9,5)11(13,3)4;1-8-9(2)12(5)7-6-10(8)11(12,3)4;1-8-9(2)11(4)6-5-10(8,3)7-11;1-7-8(2)10(4)5-9(7,3)6-10;1-6-7(2)9(11)4-3-8(6,10)5-9;1-6-7(2)9-4-3-8(6)5-9;1-5-6(2)8(10)3-7(5,9)4-8;1-5-6(2)8-3-7(5)4-8/h7-8H2,1-6H3;10H,6-7H2,1-5H3;5-7H2,1-4H3;5-6H2,1-4H3;3-5H2,1-2H3;8-9H,3-5H2,1-2H3;3-4H2,1-2H3;7-8H,3-4H2,1-2H3
• InChIKey: BJDZDWRFVJSZHO-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 0.00 Ų
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1161.86
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene?

The IUPAC name of 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene (CID 157365827) is 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene.

What is the SMILES notation for 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene?

The canonical SMILES for 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene is CC1=C(C)C2(C)CC1(C)C2.CC1=C(C)C2(C)CCC1(C)C2.CC1=C(C)C2(C)CCC1(C)C2(C)C.CC1=C(C)C2(C)CCC1C2(C)C.CC1=C(C)C2(F)CC1(F)C2.CC1=C(C)C2(F)CCC1(F)C2.CC1=C(C)C2CC1C2.CC1=C(C)C2CCC1C2.

What is the InChIKey of 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene?

The InChIKey is BJDZDWRFVJSZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22.C12H20.C11H18.C10H16.C9H12F2.C9H14.C8H10F2.C8H12/c1-9-10(2)13(6)8-7-12(9,5)11(13,3)4;1-8-9(2)12(5)7-6-10(8)11(12,3)4;1-8-9(2)11(4)6-5-10(8,3)7-11;1-7-8(2)10(4)5-9(7,3)6-10;1-6-7(2)9(11)4-3-8(6,10)5-9;1-6-7(2)9-4-3-8(6)5-9;1-5-6(2)8(10)3-7(5,9)4-8;1-5-6(2)8-3-7(5)4-8/h7-8H2,1-6H3;10H,6-7H2,1-5H3;5-7H2,1-4H3;5-6H2,1-4H3;3-5H2,1-2H3;8-9H,3-5H2,1-2H3;3-4H2,1-2H3;7-8H,3-4H2,1-2H3.

What are the key properties of 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene?

1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene has a molecular weight of 1161.86 g/mol, XLogP of 25.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-difluoro-2,3-dimethylbicyclo[2.2.1]hept-2-ene;1,4-difluoro-2,3-dimethylbicyclo[2.1.1]hex-2-ene;2,3-dimethylbicyclo[2.2.1]hept-2-ene;2,3-dimethylbicyclo[2.1.1]hex-2-ene;1,2,3,4,7,7-hexamethylbicyclo[2.2.1]hept-2-ene;1,2,3,7,7-pentamethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.2.1]hept-2-ene;1,2,3,4-tetramethylbicyclo[2.1.1]hex-2-ene is sourced from PubChem (CID 157365827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).