1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene

C14H9F17O2 — CID 175347724

About 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene

1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene (PubChem CID 175347724) has the molecular formula C14H9F17O2 and a molecular weight of 532.19 g/mol. Its IUPAC name is 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene.

Molecular Properties

• Compound Name: 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene
• PubChem CID: 175347724
• Molecular Formula: C14H9F17O2
• Molecular Weight: 532.19 g/mol
• Exact Mass: 532.03
• IUPAC Name: 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene
• SMILES: C=CCOCCOC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C14H9F17O2/c1-2-3-32-4-5-33-7(16)6(15)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2H,1,3-5H2
• InChIKey: QENCTAULSDQZHC-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.19
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene?

The IUPAC name of 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene (CID 175347724) is 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene.

What is the SMILES notation for 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene?

The canonical SMILES for 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene is C=CCOCCOC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene?

The InChIKey is QENCTAULSDQZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F17O2/c1-2-3-32-4-5-33-7(16)6(15)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2H,1,3-5H2.

What are the key properties of 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene?

1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene has a molecular weight of 532.19 g/mol, XLogP of 6.69, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-(2-prop-2-enoxyethoxy)non-1-ene is sourced from PubChem (CID 175347724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).