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

C9H2F12 — CID 19796817

IUPAC1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)=C(C(F)(F)F)C1
InChIInChI=1S/C9H2F12/c10-6(11,12)2-1-3(7(13,14)15)5(9(19,20)21)4(2)8(16,17)18/h1H2
InChIKeyVRDOGXJQJFIKCU-UHFFFAOYSA-N
MW338.09 g/mol
LogP5.23
Rot. Bonds

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

1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 19796817) has the molecular formula C9H2F12 and a molecular weight of 338.09 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID19796817
Molecular FormulaC9H2F12
Molecular Weight338.09 g/mol
Exact Mass338.00
IUPAC Name1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)=C(C(F)(F)F)C1
InChIInChI=1S/C9H2F12/c10-6(11,12)2-1-3(7(13,14)15)5(9(19,20)21)4(2)8(16,17)18/h1H2
InChIKeyVRDOGXJQJFIKCU-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.09
LogP ≤ 55.23
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)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene (CID 19796817) is 1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene is FC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)=C(C(F)(F)F)C1.
What is the InChIKey of 1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is VRDOGXJQJFIKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F12/c10-6(11,12)2-1-3(7(13,14)15)5(9(19,20)21)4(2)8(16,17)18/h1H2.
What are the key properties of 1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene?
1,2,3,4-tetrakis(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 338.09 g/mol, XLogP of 5.23, 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)cyclopenta-1,3-diene is sourced from PubChem (CID 19796817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).