1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene

C8F12 — CID 71442407

IUPAC1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C8F12/c9-5(10,11)1-2(6(12,13)14)4(8(18,19)20)3(1)7(15,16)17
InChIKeyULJZYMYWNWCNEL-UHFFFAOYSA-N
MW324.06 g/mol
LogP4.84
Rot. Bonds

About 1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene

1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene (PubChem CID 71442407) has the molecular formula C8F12 and a molecular weight of 324.06 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene
PubChem CID71442407
Molecular FormulaC8F12
Molecular Weight324.06 g/mol
Exact Mass323.98
IUPAC Name1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C8F12/c9-5(10,11)1-2(6(12,13)14)4(8(18,19)20)3(1)7(15,16)17
InChIKeyULJZYMYWNWCNEL-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene?
The IUPAC name of 1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene (CID 71442407) is 1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene?
The canonical SMILES for 1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene is FC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F.
What is the InChIKey of 1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene?
The InChIKey is ULJZYMYWNWCNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F12/c9-5(10,11)1-2(6(12,13)14)4(8(18,19)20)3(1)7(15,16)17.
What are the key properties of 1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene?
1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene has a molecular weight of 324.06 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(trifluoromethyl)cyclobuta-1,3-diene is sourced from PubChem (CID 71442407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).