(E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene

C6H9Br2FO2 — CID 14949597

IUPAC(E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene
SMILESCCOCCO/C(Br)=C(/F)Br
InChIInChI=1S/C6H9Br2FO2/c1-2-10-3-4-11-6(8)5(7)9/h2-4H2,1H3/b6-5+
InChIKeyQAYSGOSMQDVHRS-AATRIKPKSA-N
MW291.94 g/mol
LogP2.93
Rot. Bonds5

About (E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene

(E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene (PubChem CID 14949597) has the molecular formula C6H9Br2FO2 and a molecular weight of 291.94 g/mol. Its IUPAC name is (E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene.

Molecular Properties

Compound Name(E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene
PubChem CID14949597
Molecular FormulaC6H9Br2FO2
Molecular Weight291.94 g/mol
Exact Mass289.90
IUPAC Name(E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene
SMILESCCOCCO/C(Br)=C(/F)Br
InChIInChI=1S/C6H9Br2FO2/c1-2-10-3-4-11-6(8)5(7)9/h2-4H2,1H3/b6-5+
InChIKeyQAYSGOSMQDVHRS-AATRIKPKSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.94
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene?
The IUPAC name of (E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene (CID 14949597) is (E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene.
What is the SMILES notation for (E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene?
The canonical SMILES for (E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene is CCOCCO/C(Br)=C(/F)Br.
What is the InChIKey of (E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene?
The InChIKey is QAYSGOSMQDVHRS-AATRIKPKSA-N. The full InChI is InChI=1S/C6H9Br2FO2/c1-2-10-3-4-11-6(8)5(7)9/h2-4H2,1H3/b6-5+.
What are the key properties of (E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene?
(E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene has a molecular weight of 291.94 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-dibromo-1-(2-ethoxyethoxy)-2-fluoroethene is sourced from PubChem (CID 14949597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).