1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene

C11H11F3O — CID 54250665

IUPAC1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene
SMILESCCOCC(F)=C(F)c1ccccc1F
InChIInChI=1S/C11H11F3O/c1-2-15-7-10(13)11(14)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChIKeyQWMNVZCCHRUIAW-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.47
Rot. Bonds4

About 1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene

1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene (PubChem CID 54250665) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene
PubChem CID54250665
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene
SMILESCCOCC(F)=C(F)c1ccccc1F
InChIInChI=1S/C11H11F3O/c1-2-15-7-10(13)11(14)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChIKeyQWMNVZCCHRUIAW-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene?
The IUPAC name of 1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene (CID 54250665) is 1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene.
What is the SMILES notation for 1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene?
The canonical SMILES for 1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene is CCOCC(F)=C(F)c1ccccc1F.
What is the InChIKey of 1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene?
The InChIKey is QWMNVZCCHRUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-2-15-7-10(13)11(14)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3.
What are the key properties of 1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene?
1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene has a molecular weight of 216.20 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1,2-difluoroprop-1-enyl)-2-fluorobenzene is sourced from PubChem (CID 54250665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).