1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene

C9H2F12 — CID 54442342

IUPAC1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=CC(C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F
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/h1-2H
InChIKeyWPAALCILHNDRRB-UHFFFAOYSA-N
MW338.09 g/mol
LogP5.09
Rot. Bonds

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

1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 54442342) has the molecular formula C9H2F12 and a molecular weight of 338.09 g/mol. Its IUPAC name is 1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID54442342
Molecular FormulaC9H2F12
Molecular Weight338.09 g/mol
Exact Mass338.00
IUPAC Name1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=CC(C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F
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/h1-2H
InChIKeyWPAALCILHNDRRB-UHFFFAOYSA-N
XLogP5.09
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 ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene (CID 54442342) is 1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene is FC(F)(F)C1=CC(C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F.
What is the InChIKey of 1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is WPAALCILHNDRRB-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/h1-2H.
What are the key properties of 1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene?
1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 338.09 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrakis(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 54442342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).