3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol

C16H7F23O — CID 140934909

About 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol

3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol (PubChem CID 140934909) has the molecular formula C16H7F23O and a molecular weight of 652.18 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol.

Molecular Properties

• Compound Name: 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol
• PubChem CID: 140934909
• Molecular Formula: C16H7F23O
• Molecular Weight: 652.18 g/mol
• Exact Mass: 652.01
• IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol
• SMILES: OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=CC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C16H7F23O/c17-5(8(21,22)11(27,28)13(31,32)10(25,26)7(19,20)3-4-40)1-2-6(18)9(23,24)12(29,30)14(33,34)15(35,36)16(37,38)39/h1-2,40H,3-4H2
• InChIKey: XBDPREUKFRKVBL-UHFFFAOYSA-N
• XLogP: 8.36
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.18
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol?

The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol (CID 140934909) is 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol.

What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol?

The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol is OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=CC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol?

The InChIKey is XBDPREUKFRKVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F23O/c17-5(8(21,22)11(27,28)13(31,32)10(25,26)7(19,20)3-4-40)1-2-6(18)9(23,24)12(29,30)14(33,34)15(35,36)16(37,38)39/h1-2,40H,3-4H2.

What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol?

3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol has a molecular weight of 652.18 g/mol, XLogP of 8.36, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol is sourced from PubChem (CID 140934909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).