1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene

C10H4F12 — CID 22022755

IUPAC1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)CC(C(F)(F)F)=C(C(F)(F)F)C1
InChIInChI=1S/C10H4F12/c11-7(12,13)3-1-4(8(14,15)16)6(10(20,21)22)2-5(3)9(17,18)19/h1-2H2
InChIKeyOUULTNSBKYQFNE-UHFFFAOYSA-N
MW352.12 g/mol
LogP5.62
Rot. Bonds

About 1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene

1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene (PubChem CID 22022755) has the molecular formula C10H4F12 and a molecular weight of 352.12 g/mol. Its IUPAC name is 1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene
PubChem CID22022755
Molecular FormulaC10H4F12
Molecular Weight352.12 g/mol
Exact Mass352.01
IUPAC Name1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)CC(C(F)(F)F)=C(C(F)(F)F)C1
InChIInChI=1S/C10H4F12/c11-7(12,13)3-1-4(8(14,15)16)6(10(20,21)22)2-5(3)9(17,18)19/h1-2H2
InChIKeyOUULTNSBKYQFNE-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.12
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene?
The IUPAC name of 1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene (CID 22022755) is 1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene.
What is the SMILES notation for 1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene?
The canonical SMILES for 1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene is FC(F)(F)C1=C(C(F)(F)F)CC(C(F)(F)F)=C(C(F)(F)F)C1.
What is the InChIKey of 1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene?
The InChIKey is OUULTNSBKYQFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F12/c11-7(12,13)3-1-4(8(14,15)16)6(10(20,21)22)2-5(3)9(17,18)19/h1-2H2.
What are the key properties of 1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene?
1,2,4,5-tetrakis(trifluoromethyl)cyclohexa-1,4-diene has a molecular weight of 352.12 g/mol, XLogP of 5.62, 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-tetrakis(trifluoromethyl)cyclohexa-1,4-diene is sourced from PubChem (CID 22022755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).