1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene

C8H4F4 — CID 67261759

IUPAC1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1c(F)c(F)c(=C)c(F)c1F
InChIInChI=1S/C8H4F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H2
InChIKeyRXYSNFIYVQXOCI-UHFFFAOYSA-N
MW176.11 g/mol
LogP1.06
Rot. Bonds

About 1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene

1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene (PubChem CID 67261759) has the molecular formula C8H4F4 and a molecular weight of 176.11 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene
PubChem CID67261759
Molecular FormulaC8H4F4
Molecular Weight176.11 g/mol
Exact Mass176.02
IUPAC Name1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1c(F)c(F)c(=C)c(F)c1F
InChIInChI=1S/C8H4F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H2
InChIKeyRXYSNFIYVQXOCI-UHFFFAOYSA-N
XLogP1.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.11
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene (CID 67261759) is 1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene is C=c1c(F)c(F)c(=C)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene?
The InChIKey is RXYSNFIYVQXOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H2.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene?
1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene has a molecular weight of 176.11 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-dimethylidenecyclohexa-1,4-diene is sourced from PubChem (CID 67261759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).