1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene

C10H12F3- — CID 134842474

IUPAC1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene
SMILESCc1c(C(F)(F)F)c(C)[c-](C)c1C
InChIInChI=1S/C10H12F3/c1-5-6(2)8(4)9(7(5)3)10(11,12)13/h1-4H3/q-1
InChIKeyLURCYQSNOBLRLZ-UHFFFAOYSA-N
MW189.20 g/mol
LogP3.66
Rot. Bonds

About 1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene

1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 134842474) has the molecular formula C10H12F3- and a molecular weight of 189.20 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID134842474
Molecular FormulaC10H12F3-
Molecular Weight189.20 g/mol
Exact Mass189.09
IUPAC Name1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene
SMILESCc1c(C(F)(F)F)c(C)[c-](C)c1C
InChIInChI=1S/C10H12F3/c1-5-6(2)8(4)9(7(5)3)10(11,12)13/h1-4H3/q-1
InChIKeyLURCYQSNOBLRLZ-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-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 1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene (CID 134842474) is 1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene is Cc1c(C(F)(F)F)c(C)[c-](C)c1C.
What is the InChIKey of 1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is LURCYQSNOBLRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3/c1-5-6(2)8(4)9(7(5)3)10(11,12)13/h1-4H3/q-1.
What are the key properties of 1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene?
1,2,4,5-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 189.20 g/mol, XLogP of 3.66, 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-tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 134842474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).