(1E)-5-(2-fluoroethoxy)cyclooctene

C10H17FO — CID 86702321

IUPAC(1E)-5-(2-fluoroethoxy)cyclooctene
SMILESFCCOC1CC/C=C\CCC1
InChIInChI=1S/C10H17FO/c11-8-9-12-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9H2/b2-1-
InChIKeyBKPCVKMDKAOKSQ-UPHRSURJSA-N
MW172.24 g/mol
LogP2.86
Rot. Bonds3

About (1E)-5-(2-fluoroethoxy)cyclooctene

(1E)-5-(2-fluoroethoxy)cyclooctene (PubChem CID 86702321) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is (1E)-5-(2-fluoroethoxy)cyclooctene.

Molecular Properties

Compound Name(1E)-5-(2-fluoroethoxy)cyclooctene
PubChem CID86702321
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name(1E)-5-(2-fluoroethoxy)cyclooctene
SMILESFCCOC1CC/C=C\CCC1
InChIInChI=1S/C10H17FO/c11-8-9-12-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9H2/b2-1-
InChIKeyBKPCVKMDKAOKSQ-UPHRSURJSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-5-(2-fluoroethoxy)cyclooctene?
The IUPAC name of (1E)-5-(2-fluoroethoxy)cyclooctene (CID 86702321) is (1E)-5-(2-fluoroethoxy)cyclooctene.
What is the SMILES notation for (1E)-5-(2-fluoroethoxy)cyclooctene?
The canonical SMILES for (1E)-5-(2-fluoroethoxy)cyclooctene is FCCOC1CC/C=C\CCC1.
What is the InChIKey of (1E)-5-(2-fluoroethoxy)cyclooctene?
The InChIKey is BKPCVKMDKAOKSQ-UPHRSURJSA-N. The full InChI is InChI=1S/C10H17FO/c11-8-9-12-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9H2/b2-1-.
What are the key properties of (1E)-5-(2-fluoroethoxy)cyclooctene?
(1E)-5-(2-fluoroethoxy)cyclooctene has a molecular weight of 172.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-5-(2-fluoroethoxy)cyclooctene is sourced from PubChem (CID 86702321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).