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

C8H8F4 — CID 69035003

IUPAC1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C(F)=C(F)C=C(F)C1(C)F
InChIInChI=1S/C8H8F4/c1-4-7(11)5(9)3-6(10)8(4,2)12/h3-4H,1-2H3
InChIKeyFBWPVXMXVCITCU-UHFFFAOYSA-N
MW180.14 g/mol
LogP3.37
Rot. Bonds

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

1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 69035003) has the molecular formula C8H8F4 and a molecular weight of 180.14 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene
PubChem CID69035003
Molecular FormulaC8H8F4
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C(F)=C(F)C=C(F)C1(C)F
InChIInChI=1S/C8H8F4/c1-4-7(11)5(9)3-6(10)8(4,2)12/h3-4H,1-2H3
InChIKeyFBWPVXMXVCITCU-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene (CID 69035003) is 1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene is CC1C(F)=C(F)C=C(F)C1(C)F.
What is the InChIKey of 1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is FBWPVXMXVCITCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4/c1-4-7(11)5(9)3-6(10)8(4,2)12/h3-4H,1-2H3.
What are the key properties of 1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene?
1,2,4,5-tetrafluoro-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 180.14 g/mol, XLogP of 3.37, 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-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 69035003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).