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

C10H10F6 — CID 19796812

IUPAC1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene
SMILESCC1=C(C)C(C(F)(F)F)C(C)=C1C(F)(F)F
InChIInChI=1S/C10H10F6/c1-4-5(2)8(10(14,15)16)6(3)7(4)9(11,12)13/h7H,1-3H3
InChIKeyYJHYKSZAZUGSEK-UHFFFAOYSA-N
MW244.18 g/mol
LogP4.39
Rot. Bonds

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

1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 19796812) has the molecular formula C10H10F6 and a molecular weight of 244.18 g/mol. Its IUPAC name is 1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID19796812
Molecular FormulaC10H10F6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene
SMILESCC1=C(C)C(C(F)(F)F)C(C)=C1C(F)(F)F
InChIInChI=1S/C10H10F6/c1-4-5(2)8(10(14,15)16)6(3)7(4)9(11,12)13/h7H,1-3H3
InChIKeyYJHYKSZAZUGSEK-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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene (CID 19796812) is 1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene is CC1=C(C)C(C(F)(F)F)C(C)=C1C(F)(F)F.
What is the InChIKey of 1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is YJHYKSZAZUGSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6/c1-4-5(2)8(10(14,15)16)6(3)7(4)9(11,12)13/h7H,1-3H3.
What are the key properties of 1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene?
1,2,4-trimethyl-3,5-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 1,2,4-trimethyl-3,5-bis(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 19796812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).