2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene

C20H19F5O — CID 123803094

About 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene

2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene (PubChem CID 123803094) has the molecular formula C20H19F5O and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene.

Molecular Properties

• Compound Name: 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene
• PubChem CID: 123803094
• Molecular Formula: C20H19F5O
• Molecular Weight: 370.36 g/mol
• Exact Mass: 370.14
• IUPAC Name: 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene
• SMILES: CCCc1ccc(CCc2cc(F)c(OC=CC(F)F)c(F)c2)c(F)c1
• InChI: InChI=1S/C20H19F5O/c1-2-3-13-4-6-15(16(21)10-13)7-5-14-11-17(22)20(18(23)12-14)26-9-8-19(24)25/h4,6,8-12,19H,2-3,5,7H2,1H3
• InChIKey: JLTUUNKFYHMSHY-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.36
LogP ≤ 5	6.00
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 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene?

The IUPAC name of 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene (CID 123803094) is 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene.

What is the SMILES notation for 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene?

The canonical SMILES for 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene is CCCc1ccc(CCc2cc(F)c(OC=CC(F)F)c(F)c2)c(F)c1.

What is the InChIKey of 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene?

The InChIKey is JLTUUNKFYHMSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5O/c1-2-3-13-4-6-15(16(21)10-13)7-5-14-11-17(22)20(18(23)12-14)26-9-8-19(24)25/h4,6,8-12,19H,2-3,5,7H2,1H3.

What are the key properties of 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene?

2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene has a molecular weight of 370.36 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 123803094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).