1,3,4,6-tetrafluorocyclohexa-1,4-diene

C6H4F4 — CID 173333073

IUPAC1,3,4,6-tetrafluorocyclohexa-1,4-diene
SMILESFC1=CC(F)C(F)=CC1F
InChIInChI=1S/C6H4F4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,6H
InChIKeyAFMXOCFNNYMECG-UHFFFAOYSA-N
MW152.09 g/mol
LogP2.38
Rot. Bonds

About 1,3,4,6-tetrafluorocyclohexa-1,4-diene

1,3,4,6-tetrafluorocyclohexa-1,4-diene (PubChem CID 173333073) has the molecular formula C6H4F4 and a molecular weight of 152.09 g/mol. Its IUPAC name is 1,3,4,6-tetrafluorocyclohexa-1,4-diene.

Molecular Properties

Compound Name1,3,4,6-tetrafluorocyclohexa-1,4-diene
PubChem CID173333073
Molecular FormulaC6H4F4
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name1,3,4,6-tetrafluorocyclohexa-1,4-diene
SMILESFC1=CC(F)C(F)=CC1F
InChIInChI=1S/C6H4F4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,6H
InChIKeyAFMXOCFNNYMECG-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,4,6-tetrafluorocyclohexa-1,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetrafluorocyclohexa-1,4-diene?
The IUPAC name of 1,3,4,6-tetrafluorocyclohexa-1,4-diene (CID 173333073) is 1,3,4,6-tetrafluorocyclohexa-1,4-diene.
What is the SMILES notation for 1,3,4,6-tetrafluorocyclohexa-1,4-diene?
The canonical SMILES for 1,3,4,6-tetrafluorocyclohexa-1,4-diene is FC1=CC(F)C(F)=CC1F.
What is the InChIKey of 1,3,4,6-tetrafluorocyclohexa-1,4-diene?
The InChIKey is AFMXOCFNNYMECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,6H.
What are the key properties of 1,3,4,6-tetrafluorocyclohexa-1,4-diene?
1,3,4,6-tetrafluorocyclohexa-1,4-diene has a molecular weight of 152.09 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetrafluorocyclohexa-1,4-diene is sourced from PubChem (CID 173333073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).