4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene

C17H16F2 — CID 101142837

IUPAC4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCc1cc(F)cc(C)c1C1Cc2cc(F)cc(C)c21
InChIInChI=1S/C17H16F2/c1-9-4-13(18)5-10(2)16(9)15-8-12-7-14(19)6-11(3)17(12)15/h4-7,15H,8H2,1-3H3
InChIKeyUAPQCIFDFOOYIJ-UHFFFAOYSA-N
MW258.31 g/mol
LogP4.58
Rot. Bonds1

About 4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene

4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 101142837) has the molecular formula C17H16F2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID101142837
Molecular FormulaC17H16F2
Molecular Weight258.31 g/mol
Exact Mass258.12
IUPAC Name4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCc1cc(F)cc(C)c1C1Cc2cc(F)cc(C)c21
InChIInChI=1S/C17H16F2/c1-9-4-13(18)5-10(2)16(9)15-8-12-7-14(19)6-11(3)17(12)15/h4-7,15H,8H2,1-3H3
InChIKeyUAPQCIFDFOOYIJ-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene 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-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene (CID 101142837) is 4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene is Cc1cc(F)cc(C)c1C1Cc2cc(F)cc(C)c21.
What is the InChIKey of 4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is UAPQCIFDFOOYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2/c1-9-4-13(18)5-10(2)16(9)15-8-12-7-14(19)6-11(3)17(12)15/h4-7,15H,8H2,1-3H3.
What are the key properties of 4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene?
4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 258.31 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8-(4-fluoro-2,6-dimethylphenyl)-2-methylbicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 101142837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).