1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane

C12H15F3 — CID 142270014

IUPAC1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane
SMILESC=CC1=C(C=C)CC(C(F)(F)F)=C1.CC
InChIInChI=1S/C10H9F3.C2H6/c1-3-7-5-9(10(11,12)13)6-8(7)4-2;1-2/h3-5H,1-2,6H2;1-2H3
InChIKeyWKXDFTNQYKKTMJ-UHFFFAOYSA-N
MW216.25 g/mol
LogP4.57
Rot. Bonds2

About 1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane

1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane (PubChem CID 142270014) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane.

Molecular Properties

Compound Name1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane
PubChem CID142270014
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane
SMILESC=CC1=C(C=C)CC(C(F)(F)F)=C1.CC
InChIInChI=1S/C10H9F3.C2H6/c1-3-7-5-9(10(11,12)13)6-8(7)4-2;1-2/h3-5H,1-2,6H2;1-2H3
InChIKeyWKXDFTNQYKKTMJ-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane 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-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane?
The IUPAC name of 1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane (CID 142270014) is 1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane.
What is the SMILES notation for 1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane?
The canonical SMILES for 1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane is C=CC1=C(C=C)CC(C(F)(F)F)=C1.CC.
What is the InChIKey of 1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane?
The InChIKey is WKXDFTNQYKKTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3.C2H6/c1-3-7-5-9(10(11,12)13)6-8(7)4-2;1-2/h3-5H,1-2,6H2;1-2H3.
What are the key properties of 1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane?
1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane has a molecular weight of 216.25 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-4-(trifluoromethyl)cyclopenta-1,3-diene;ethane is sourced from PubChem (CID 142270014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).