2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene

C24H19F5O3 — CID 19753519

About 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene

2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene (PubChem CID 19753519) has the molecular formula C24H19F5O3 and a molecular weight of 450.40 g/mol. Its IUPAC name is 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene.

Molecular Properties

• Compound Name: 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene
• PubChem CID: 19753519
• Molecular Formula: C24H19F5O3
• Molecular Weight: 450.40 g/mol
• Exact Mass: 450.13
• IUPAC Name: 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene
• SMILES: CCOc1c(F)cc(/C(=C/OCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1F
• InChI: InChI=1S/C24H19F5O3/c1-2-31-23-21(25)12-17(13-22(23)26)20(24(27,28)29)15-30-14-16-7-6-10-19(11-16)32-18-8-4-3-5-9-18/h3-13,15H,2,14H2,1H3/b20-15-
• InChIKey: SYYPRRDXUXFBDQ-HKWRFOASSA-N
• XLogP: 7.28
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.40
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene?

The IUPAC name of 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene (CID 19753519) is 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene.

What is the SMILES notation for 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene?

The canonical SMILES for 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene is CCOc1c(F)cc(/C(=C/OCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1F.

What is the InChIKey of 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene?

The InChIKey is SYYPRRDXUXFBDQ-HKWRFOASSA-N. The full InChI is InChI=1S/C24H19F5O3/c1-2-31-23-21(25)12-17(13-22(23)26)20(24(27,28)29)15-30-14-16-7-6-10-19(11-16)32-18-8-4-3-5-9-18/h3-13,15H,2,14H2,1H3/b20-15-.

What are the key properties of 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene?

2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene has a molecular weight of 450.40 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-1,3-difluoro-5-[(Z)-3,3,3-trifluoro-1-[(3-phenoxyphenyl)methoxy]prop-1-en-2-yl]benzene is sourced from PubChem (CID 19753519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).