(5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

C21H24FN3O — CID 67716440

About (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

(5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 67716440) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

• Compound Name: (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
• PubChem CID: 67716440
• Molecular Formula: C21H24FN3O
• Molecular Weight: 353.44 g/mol
• Exact Mass: 353.19
• IUPAC Name: (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
• SMILES: C=CCC1(CC=C)CC/C(=C/c2ccc(F)cc2)C1(O)Cn1cncn1
• InChI: InChI=1S/C21H24FN3O/c1-3-10-20(11-4-2)12-9-18(13-17-5-7-19(22)8-6-17)21(20,26)14-25-16-23-15-24-25/h3-8,13,15-16,26H,1-2,9-12,14H2/b18-13-
• InChIKey: ZXEYEHHGRDFGCT-AQTBWJFISA-N
• XLogP: 4.16
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.44
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

The IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (CID 67716440) is (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.

What is the SMILES notation for (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

The canonical SMILES for (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is C=CCC1(CC=C)CC/C(=C/c2ccc(F)cc2)C1(O)Cn1cncn1.

What is the InChIKey of (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

The InChIKey is ZXEYEHHGRDFGCT-AQTBWJFISA-N. The full InChI is InChI=1S/C21H24FN3O/c1-3-10-20(11-4-2)12-9-18(13-17-5-7-19(22)8-6-17)21(20,26)14-25-16-23-15-24-25/h3-8,13,15-16,26H,1-2,9-12,14H2/b18-13-.

What are the key properties of (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

(5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 353.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(4-fluorophenyl)methylidene]-2,2-bis(prop-2-enyl)-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 67716440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).