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

C10H10F6 — CID 19796816

IUPAC1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C10H10F6/c1-4-5(2)7(9(11,12)13)8(6(4)3)10(14,15)16/h5H,1-3H3
InChIKeySUWDIVACBUMNIT-UHFFFAOYSA-N
MW244.18 g/mol
LogP4.39
Rot. Bonds

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

1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 19796816) has the molecular formula C10H10F6 and a molecular weight of 244.18 g/mol. Its IUPAC name is 1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID19796816
Molecular FormulaC10H10F6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene
SMILESCC1=C(C)C(C)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C10H10F6/c1-4-5(2)7(9(11,12)13)8(6(4)3)10(14,15)16/h5H,1-3H3
InChIKeySUWDIVACBUMNIT-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,5-trimethyl-3,4-bis(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 1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene (CID 19796816) is 1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene is CC1=C(C)C(C)C(C(F)(F)F)=C1C(F)(F)F.
What is the InChIKey of 1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is SUWDIVACBUMNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6/c1-4-5(2)7(9(11,12)13)8(6(4)3)10(14,15)16/h5H,1-3H3.
What are the key properties of 1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene?
1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 244.18 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 19796816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).