1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene

C17H15F3O2 — CID 118191513

IUPAC1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
SMILESC=CCOc1ccc(-c2ccc(OCC)c(F)c2F)c(F)c1
InChIInChI=1S/C17H15F3O2/c1-3-9-22-11-5-6-12(14(18)10-11)13-7-8-15(21-4-2)17(20)16(13)19/h3,5-8,10H,1,4,9H2,2H3
InChIKeyRRBBCNVFEFSCHV-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.73
Rot. Bonds6

About 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene

1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene (PubChem CID 118191513) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
PubChem CID118191513
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
SMILESC=CCOc1ccc(-c2ccc(OCC)c(F)c2F)c(F)c1
InChIInChI=1S/C17H15F3O2/c1-3-9-22-11-5-6-12(14(18)10-11)13-7-8-15(21-4-2)17(20)16(13)19/h3,5-8,10H,1,4,9H2,2H3
InChIKeyRRBBCNVFEFSCHV-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene (CID 118191513) is 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene is C=CCOc1ccc(-c2ccc(OCC)c(F)c2F)c(F)c1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene?
The InChIKey is RRBBCNVFEFSCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-3-9-22-11-5-6-12(14(18)10-11)13-7-8-15(21-4-2)17(20)16(13)19/h3,5-8,10H,1,4,9H2,2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene?
1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene has a molecular weight of 308.30 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene is sourced from PubChem (CID 118191513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).