(2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C28H36F6N2O — CID 178040823

About (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

(2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 178040823) has the molecular formula C28H36F6N2O and a molecular weight of 530.60 g/mol. Its IUPAC name is (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• PubChem CID: 178040823
• Molecular Formula: C28H36F6N2O
• Molecular Weight: 530.60 g/mol
• Exact Mass: 530.27
• IUPAC Name: (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• SMILES: C/C=C\C(=C/C(=C/CC)C(F)(F)F)c1cc2n(n1)CCCC2.CCC/C=C(/C=C\C=C(/C)O)C(F)(F)F
• InChI: InChI=1S/C17H21F3N2.C11H15F3O/c1-3-7-13(11-14(8-4-2)17(18,19)20)16-12-15-9-5-6-10-22(15)21-16;1-3-4-7-10(11(12,13)14)8-5-6-9(2)15/h3,7-8,11-12H,4-6,9-10H2,1-2H3;5-8,15H,3-4H2,1-2H3/b7-3-,13-11+,14-8-;8-5-,9-6+,10-7-
• InChIKey: FLYSGWDVVJMHHD-VWIONSQYSA-N
• XLogP: 9.37
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.60
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The IUPAC name of (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 178040823) is (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

What is the SMILES notation for (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The canonical SMILES for (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is C/C=C\C(=C/C(=C/CC)C(F)(F)F)c1cc2n(n1)CCCC2.CCC/C=C(/C=C\C=C(/C)O)C(F)(F)F.

What is the InChIKey of (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The InChIKey is FLYSGWDVVJMHHD-VWIONSQYSA-N. The full InChI is InChI=1S/C17H21F3N2.C11H15F3O/c1-3-7-13(11-14(8-4-2)17(18,19)20)16-12-15-9-5-6-10-22(15)21-16;1-3-4-7-10(11(12,13)14)8-5-6-9(2)15/h3,7-8,11-12H,4-6,9-10H2,1-2H3;5-8,15H,3-4H2,1-2H3/b7-3-,13-11+,14-8-;8-5-,9-6+,10-7-.

What are the key properties of (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

(2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 530.60 g/mol, XLogP of 9.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 178040823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).