1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane

C15H23FO — CID 66680935

IUPAC1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane
SMILESC=CCC(OC1=C(F)CCC1)C1CCCCC1
InChIInChI=1S/C15H23FO/c1-2-7-14(12-8-4-3-5-9-12)17-15-11-6-10-13(15)16/h2,12,14H,1,3-11H2
InChIKeyLGUQVWXVNLAALD-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.89
Rot. Bonds5

About 1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane

1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane (PubChem CID 66680935) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane.

Molecular Properties

Compound Name1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane
PubChem CID66680935
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane
SMILESC=CCC(OC1=C(F)CCC1)C1CCCCC1
InChIInChI=1S/C15H23FO/c1-2-7-14(12-8-4-3-5-9-12)17-15-11-6-10-13(15)16/h2,12,14H,1,3-11H2
InChIKeyLGUQVWXVNLAALD-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.89
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-But-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
CID 57133678
5-Ethenyl-2-(4-fluorocyclohex-3-en-1-yl)oxane
CID 57177125
1-(2-Cyclopentylethoxy)-3-fluorocyclohexa-1,3-diene
CID 71062125
1-[(1-Cyclohexyl-3-butenyl)oxy]-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 87108604
5-Fluoro-2,3,3a,6,7,7a-hexahydro-1-benzofuran
CID 89704417
4-(2,3,3,4,4,5,5-Heptafluorocyclopenten-1-yl)oxybut-1-enylcyclohexane
CID 123887806
1-(2-Cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene
CID 123998893
2-Cyclohexyl-2,3-dihydrofuran
CID 135036725
(3S,6R)-6-cyclohexyl-3-fluoro-3,6-dihydro-2H-pyran
CID 101403613
1-[(Z)-2-fluorohex-2-en-3-yl]oxybut-3-enylcyclohexane
CID 144093561
5-Cyclohexyl-2,3-dihydrofuran
CID 15838080
1-ethoxy-4-[(E)-pent-3-enyl]cyclohexane
CID 22095340

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane?
The IUPAC name of 1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane (CID 66680935) is 1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane.
What is the SMILES notation for 1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane?
The canonical SMILES for 1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane is C=CCC(OC1=C(F)CCC1)C1CCCCC1.
What is the InChIKey of 1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane?
The InChIKey is LGUQVWXVNLAALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-2-7-14(12-8-4-3-5-9-12)17-15-11-6-10-13(15)16/h2,12,14H,1,3-11H2.
What are the key properties of 1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane?
1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane has a molecular weight of 238.35 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane is sourced from PubChem (CID 66680935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).