(1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol

C23H39FO2 — CID 59070739

About (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol

(1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol (PubChem CID 59070739) has the molecular formula C23H39FO2 and a molecular weight of 366.56 g/mol. Its IUPAC name is (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol
• PubChem CID: 59070739
• Molecular Formula: C23H39FO2
• Molecular Weight: 366.56 g/mol
• Exact Mass: 366.29
• IUPAC Name: (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol
• SMILES: CCCC/C=C\C[C@@H]1[C@@H](/C=C/CC(O)C2(CCC)CCC2)[C@H](O)C[C@H]1F
• InChI: InChI=1S/C23H39FO2/c1-3-5-6-7-8-11-18-19(21(25)17-20(18)24)12-9-13-22(26)23(14-4-2)15-10-16-23/h7-9,12,18-22,25-26H,3-6,10-11,13-17H2,1-2H3/b8-7-,12-9+/t18-,19-,20-,21-,22?/m1/s1
• InChIKey: ZTAYGMWQDZIGPS-ZJBCQJEASA-N
• XLogP: 5.74
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.56
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol?

The IUPAC name of (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol (CID 59070739) is (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol.

What is the SMILES notation for (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol?

The canonical SMILES for (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol is CCCC/C=C\C[C@@H]1[C@@H](/C=C/CC(O)C2(CCC)CCC2)[C@H](O)C[C@H]1F.

What is the InChIKey of (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol?

The InChIKey is ZTAYGMWQDZIGPS-ZJBCQJEASA-N. The full InChI is InChI=1S/C23H39FO2/c1-3-5-6-7-8-11-18-19(21(25)17-20(18)24)12-9-13-22(26)23(14-4-2)15-10-16-23/h7-9,12,18-22,25-26H,3-6,10-11,13-17H2,1-2H3/b8-7-,12-9+/t18-,19-,20-,21-,22?/m1/s1.

What are the key properties of (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol?

(1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol has a molecular weight of 366.56 g/mol, XLogP of 5.74, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,3R,4R)-4-fluoro-3-[(Z)-hept-2-enyl]-2-[(E)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]cyclopentan-1-ol is sourced from PubChem (CID 59070739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).