[(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene

C11H11ClF2O — CID 10889799

IUPAC[(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene
SMILESCCO/C(=C\c1ccccc1)C(F)(F)Cl
InChIInChI=1S/C11H11ClF2O/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKeyGSCYKXOQYKRCEZ-NTMALXAHSA-N
MW232.66 g/mol
LogP3.90
Rot. Bonds4

About [(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene

[(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene (PubChem CID 10889799) has the molecular formula C11H11ClF2O and a molecular weight of 232.66 g/mol. Its IUPAC name is [(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene
PubChem CID10889799
Molecular FormulaC11H11ClF2O
Molecular Weight232.66 g/mol
Exact Mass232.05
IUPAC Name[(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene
SMILESCCO/C(=C\c1ccccc1)C(F)(F)Cl
InChIInChI=1S/C11H11ClF2O/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKeyGSCYKXOQYKRCEZ-NTMALXAHSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene?
The IUPAC name of [(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene (CID 10889799) is [(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene.
What is the SMILES notation for [(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene?
The canonical SMILES for [(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene is CCO/C(=C\c1ccccc1)C(F)(F)Cl.
What is the InChIKey of [(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene?
The InChIKey is GSCYKXOQYKRCEZ-NTMALXAHSA-N. The full InChI is InChI=1S/C11H11ClF2O/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-.
What are the key properties of [(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene?
[(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene has a molecular weight of 232.66 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloro-2-ethoxy-3,3-difluoroprop-1-enyl]benzene is sourced from PubChem (CID 10889799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).