1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene

C13H19FO — CID 123998893

IUPAC1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene
SMILESFC1=CCC=C(OCCC2CCCC2)C1
InChIInChI=1S/C13H19FO/c14-12-6-3-7-13(10-12)15-9-8-11-4-1-2-5-11/h6-7,11H,1-5,8-10H2
InChIKeyNBTHQQYBFJGYBM-UHFFFAOYSA-N
MW210.29 g/mol
LogP4.11
Rot. Bonds4

About 1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene

1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene (PubChem CID 123998893) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene.

Molecular Properties

Compound Name1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene
PubChem CID123998893
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene
SMILESFC1=CCC=C(OCCC2CCCC2)C1
InChIInChI=1S/C13H19FO/c14-12-6-3-7-13(10-12)15-9-8-11-4-1-2-5-11/h6-7,11H,1-5,8-10H2
InChIKeyNBTHQQYBFJGYBM-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Fluorocyclopenten-1-yl)oxybut-3-enylcyclohexane
CID 66680935
1-(2-Cyclopentylethoxy)-3-fluorocyclohexa-1,3-diene
CID 71062125
5-Cyclohexyl-2,3-dihydrofuran
CID 15838080
5-Cyclohexyl-2-methyl-2,3-dihydrofuran
CID 89337320
1-(4-Methylheptoxy)cyclohexene
CID 139803600
1-(3-Methylheptoxy)cyclohexene
CID 139803820
(4R)-1-ethoxy-4-propylcyclohexene
CID 163474639
1-Ethoxy-4-propylcyclohexene
CID 163474640

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene?
The IUPAC name of 1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene (CID 123998893) is 1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene.
What is the SMILES notation for 1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene?
The canonical SMILES for 1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene is FC1=CCC=C(OCCC2CCCC2)C1.
What is the InChIKey of 1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene?
The InChIKey is NBTHQQYBFJGYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c14-12-6-3-7-13(10-12)15-9-8-11-4-1-2-5-11/h6-7,11H,1-5,8-10H2.
What are the key properties of 1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene?
1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene has a molecular weight of 210.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethoxy)-5-fluorocyclohexa-1,4-diene is sourced from PubChem (CID 123998893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).