4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane

C11H12ClF3 — CID 177030925

IUPAC4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane
SMILESCC.FC(F)(F)c1cc(Cl)cc2c1CC2
InChIInChI=1S/C9H6ClF3.C2H6/c10-6-3-5-1-2-7(5)8(4-6)9(11,12)13;1-2/h3-4H,1-2H2;1-2H3
InChIKeyLWFUBENNFWCQJG-UHFFFAOYSA-N
MW236.66 g/mol
LogP4.48
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane

4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane (PubChem CID 177030925) has the molecular formula C11H12ClF3 and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane
PubChem CID177030925
Molecular FormulaC11H12ClF3
Molecular Weight236.66 g/mol
Exact Mass236.06
IUPAC Name4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane
SMILESCC.FC(F)(F)c1cc(Cl)cc2c1CC2
InChIInChI=1S/C9H6ClF3.C2H6/c10-6-3-5-1-2-7(5)8(4-6)9(11,12)13;1-2/h3-4H,1-2H2;1-2H3
InChIKeyLWFUBENNFWCQJG-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;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 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane?
The IUPAC name of 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane (CID 177030925) is 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane is CC.FC(F)(F)c1cc(Cl)cc2c1CC2.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane?
The InChIKey is LWFUBENNFWCQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3.C2H6/c10-6-3-5-1-2-7(5)8(4-6)9(11,12)13;1-2/h3-4H,1-2H2;1-2H3.
What are the key properties of 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane?
4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane has a molecular weight of 236.66 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene;ethane is sourced from PubChem (CID 177030925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).