1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene

C₁₀H₈ClF₃O — CID 70427275

About 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene

1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene (PubChem CID 70427275) has the molecular formula C₁₀H₈ClF₃O and a molecular weight of 236.62 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene.

Molecular Properties

• Compound Name: 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene
• PubChem CID: 70427275
• Molecular Formula: C₁₀H₈ClF₃O
• Molecular Weight: 236.62 g/mol
• Exact Mass: 236.02
• IUPAC Name: 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene
• SMILES: CO/C(=C\C(F)(F)F)c1ccc(Cl)cc1
• InChI: InChI=1S/C10H8ClF3O/c1-15-9(6-10(12,13)14)7-2-4-8(11)5-3-7/h2-6H,1H3/b9-6-
• InChIKey: ZDZOJTHSSRAWIA-TWGQIWQCSA-N
• XLogP: 3.89
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.62
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene?

The IUPAC name of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene (CID 70427275) is 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene.

What is the SMILES notation for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene?

The canonical SMILES for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene is CO/C(=C\C(F)(F)F)c1ccc(Cl)cc1.

What is the InChIKey of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene?

The InChIKey is ZDZOJTHSSRAWIA-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H8ClF3O/c1-15-9(6-10(12,13)14)7-2-4-8(11)5-3-7/h2-6H,1H3/b9-6-.

What are the key properties of 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene?

1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene has a molecular weight of 236.62 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-[(Z)-3,3,3-trifluoro-1-methoxyprop-1-enyl]benzene is sourced from PubChem (CID 70427275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 70427275 — identifiers, structure, computed properties (public domain)

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