1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene

C12H15FO2 — CID 22621299

IUPAC1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene
SMILESC=Cc1ccc(OC(C)OCC)cc1F
InChIInChI=1S/C12H15FO2/c1-4-10-6-7-11(8-12(10)13)15-9(3)14-5-2/h4,6-9H,1,5H2,2-3H3
InChIKeyKXHNCHNTFBFSFH-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.23
Rot. Bonds5

About 1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene

1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene (PubChem CID 22621299) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene.

Molecular Properties

Compound Name1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene
PubChem CID22621299
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene
SMILESC=Cc1ccc(OC(C)OCC)cc1F
InChIInChI=1S/C12H15FO2/c1-4-10-6-7-11(8-12(10)13)15-9(3)14-5-2/h4,6-9H,1,5H2,2-3H3
InChIKeyKXHNCHNTFBFSFH-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene 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-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene?
The IUPAC name of 1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene (CID 22621299) is 1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene.
What is the SMILES notation for 1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene?
The canonical SMILES for 1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene is C=Cc1ccc(OC(C)OCC)cc1F.
What is the InChIKey of 1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene?
The InChIKey is KXHNCHNTFBFSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-4-10-6-7-11(8-12(10)13)15-9(3)14-5-2/h4,6-9H,1,5H2,2-3H3.
What are the key properties of 1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene?
1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene has a molecular weight of 210.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(1-ethoxyethoxy)-2-fluorobenzene is sourced from PubChem (CID 22621299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).