2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene

C11H9F3 — CID 18431334

IUPAC2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=CCC=C1C1=CC=CC1
InChIInChI=1S/C11H9F3/c12-11(13,14)10-7-3-6-9(10)8-4-1-2-5-8/h1-2,4,6-7H,3,5H2
InChIKeyOWZKSYYKXCHJCL-UHFFFAOYSA-N
MW198.19 g/mol
LogP3.69
Rot. Bonds1

About 2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene

2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 18431334) has the molecular formula C11H9F3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID18431334
Molecular FormulaC11H9F3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=CCC=C1C1=CC=CC1
InChIInChI=1S/C11H9F3/c12-11(13,14)10-7-3-6-9(10)8-4-1-2-5-8/h1-2,4,6-7H,3,5H2
InChIKeyOWZKSYYKXCHJCL-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene (CID 18431334) is 2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene is FC(F)(F)C1=CCC=C1C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is OWZKSYYKXCHJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3/c12-11(13,14)10-7-3-6-9(10)8-4-1-2-5-8/h1-2,4,6-7H,3,5H2.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene?
2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 198.19 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 18431334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).