[(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene

C11H12F2O — CID 5387445

IUPAC[(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene
SMILESCCOC(F)(F)/C=C/c1ccccc1
InChIInChI=1S/C11H12F2O/c1-2-14-11(12,13)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChIKeyQNSASEYTIRDODI-CMDGGOBGSA-N
MW198.21 g/mol
LogP3.33
Rot. Bonds4

About [(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene

[(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene (PubChem CID 5387445) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is [(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene
PubChem CID5387445
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name[(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene
SMILESCCOC(F)(F)/C=C/c1ccccc1
InChIInChI=1S/C11H12F2O/c1-2-14-11(12,13)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChIKeyQNSASEYTIRDODI-CMDGGOBGSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene?
The IUPAC name of [(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene (CID 5387445) is [(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene?
The canonical SMILES for [(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene is CCOC(F)(F)/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene?
The InChIKey is QNSASEYTIRDODI-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H12F2O/c1-2-14-11(12,13)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+.
What are the key properties of [(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene?
[(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene has a molecular weight of 198.21 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-ethoxy-3,3-difluoroprop-1-enyl]benzene is sourced from PubChem (CID 5387445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).