1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene

C15H17F — CID 139929594

IUPAC1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene
SMILESCCC1=CC(c2ccc(F)cc2)=C(CC)C1
InChIInChI=1S/C15H17F/c1-3-11-9-12(4-2)15(10-11)13-5-7-14(16)8-6-13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyGYKPKROOXXTKLQ-UHFFFAOYSA-N
MW216.30 g/mol
LogP4.73
Rot. Bonds3

About 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene

1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene (PubChem CID 139929594) has the molecular formula C15H17F and a molecular weight of 216.30 g/mol. Its IUPAC name is 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene
PubChem CID139929594
Molecular FormulaC15H17F
Molecular Weight216.30 g/mol
Exact Mass216.13
IUPAC Name1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene
SMILESCCC1=CC(c2ccc(F)cc2)=C(CC)C1
InChIInChI=1S/C15H17F/c1-3-11-9-12(4-2)15(10-11)13-5-7-14(16)8-6-13/h5-8,10H,3-4,9H2,1-2H3
InChIKeyGYKPKROOXXTKLQ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene?
The IUPAC name of 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene (CID 139929594) is 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene?
The canonical SMILES for 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene is CCC1=CC(c2ccc(F)cc2)=C(CC)C1.
What is the InChIKey of 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene?
The InChIKey is GYKPKROOXXTKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F/c1-3-11-9-12(4-2)15(10-11)13-5-7-14(16)8-6-13/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene?
1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene has a molecular weight of 216.30 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene is sourced from PubChem (CID 139929594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).