5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene

C13H19F — CID 129054109

IUPAC5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene
SMILESCCC1(C2C=CC=CC2F)CCCC1
InChIInChI=1S/C13H19F/c1-2-13(9-5-6-10-13)11-7-3-4-8-12(11)14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyJUHJMULPBVFMPN-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.04
Rot. Bonds2

About 5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene

5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene (PubChem CID 129054109) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene
PubChem CID129054109
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene
SMILESCCC1(C2C=CC=CC2F)CCCC1
InChIInChI=1S/C13H19F/c1-2-13(9-5-6-10-13)11-7-3-4-8-12(11)14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyJUHJMULPBVFMPN-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene?
The IUPAC name of 5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene (CID 129054109) is 5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene?
The canonical SMILES for 5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene is CCC1(C2C=CC=CC2F)CCCC1.
What is the InChIKey of 5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene?
The InChIKey is JUHJMULPBVFMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-2-13(9-5-6-10-13)11-7-3-4-8-12(11)14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3.
What are the key properties of 5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene?
5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene has a molecular weight of 194.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 129054109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).