1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene

C12H7F5 — CID 101147961

IUPAC1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C2C=CC=CC2)c(F)c1F
InChIInChI=1S/C12H7F5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-4,6H,5H2
InChIKeyFFDIUHRNMLSKPT-UHFFFAOYSA-N
MW246.18 g/mol
LogP3.98
Rot. Bonds1

About 1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene

1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene (PubChem CID 101147961) has the molecular formula C12H7F5 and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene
PubChem CID101147961
Molecular FormulaC12H7F5
Molecular Weight246.18 g/mol
Exact Mass246.05
IUPAC Name1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C2C=CC=CC2)c(F)c1F
InChIInChI=1S/C12H7F5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-4,6H,5H2
InChIKeyFFDIUHRNMLSKPT-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene (CID 101147961) is 1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(C2C=CC=CC2)c(F)c1F.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene?
The InChIKey is FFDIUHRNMLSKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-4,6H,5H2.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene?
1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene has a molecular weight of 246.18 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 101147961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).