5-(2-(19F)fluoroethoxy)cyclooctene

C10H17FO — CID 123636497

IUPAC5-(2-(19F)fluoroethoxy)cyclooctene
SMILES[19F]CCOC1CCC=CCCC1
InChIInChI=1S/C10H17FO/c11-8-9-12-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9H2/i11+0
InChIKeyBKPCVKMDKAOKSQ-DONHFQLQSA-N
MW172.24 g/mol
LogP2.86
Rot. Bonds3

About 5-(2-(19F)fluoroethoxy)cyclooctene

5-(2-(19F)fluoroethoxy)cyclooctene (PubChem CID 123636497) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 5-(2-(19F)fluoroethoxy)cyclooctene.

Molecular Properties

Compound Name5-(2-(19F)fluoroethoxy)cyclooctene
PubChem CID123636497
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name5-(2-(19F)fluoroethoxy)cyclooctene
SMILES[19F]CCOC1CCC=CCCC1
InChIInChI=1S/C10H17FO/c11-8-9-12-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9H2/i11+0
InChIKeyBKPCVKMDKAOKSQ-DONHFQLQSA-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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Related Compounds

5-propoxycyclooctene
CID 77387390
4-(2-fluoroethoxy)azepane
CID 84651254
2-[(3Z)-cyclooct-3-en-1-yl]oxyethanol
CID 169491130
N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
CID 123167407
(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide
CID 123295112
2-[(1R)-cyclooct-4-en-1-yl]oxyethyl 4-nitrobenzenesulfonate
CID 123624945
[(4Z)-cyclooct-4-en-1-yl]oxy-trimethylsilane
CID 18541566
2-cyclopentyloxyethanol;ethane;methanamine
CID 144529135
(1E,5R)-5-propan-2-yloxycyclooctene
CID 177100043
[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate
CID 138548914
8-cycloheptyloxyoctoxycycloheptane
CID 173292672

Frequently Asked Questions

What is the IUPAC name of 5-(2-(19F)fluoroethoxy)cyclooctene?
The IUPAC name of 5-(2-(19F)fluoroethoxy)cyclooctene (CID 123636497) is 5-(2-(19F)fluoroethoxy)cyclooctene.
What is the SMILES notation for 5-(2-(19F)fluoroethoxy)cyclooctene?
The canonical SMILES for 5-(2-(19F)fluoroethoxy)cyclooctene is [19F]CCOC1CCC=CCCC1.
What is the InChIKey of 5-(2-(19F)fluoroethoxy)cyclooctene?
The InChIKey is BKPCVKMDKAOKSQ-DONHFQLQSA-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/i11+0.
What are the key properties of 5-(2-(19F)fluoroethoxy)cyclooctene?
5-(2-(19F)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 5-(2-(19F)fluoroethoxy)cyclooctene is sourced from PubChem (CID 123636497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).