1-fluoro-3-(4-fluorophenyl)-2-methylbenzene

C13H10F2 — CID 46313945

IUPAC1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
SMILESCc1c(F)cccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10F2/c1-9-12(3-2-4-13(9)15)10-5-7-11(14)8-6-10/h2-8H,1H3
InChIKeyQZQQOADXAPEZPD-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.94
Rot. Bonds1

About 1-fluoro-3-(4-fluorophenyl)-2-methylbenzene

1-fluoro-3-(4-fluorophenyl)-2-methylbenzene (PubChem CID 46313945) has the molecular formula C13H10F2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-fluoro-3-(4-fluorophenyl)-2-methylbenzene.

Molecular Properties

Compound Name1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
PubChem CID46313945
Molecular FormulaC13H10F2
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
SMILESCc1c(F)cccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10F2/c1-9-12(3-2-4-13(9)15)10-5-7-11(14)8-6-10/h2-8H,1H3
InChIKeyQZQQOADXAPEZPD-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-3-(4-fluorophenyl)-2-methylbenzene 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-fluoro-3-(4-fluorophenyl)-2-methylbenzene?
The IUPAC name of 1-fluoro-3-(4-fluorophenyl)-2-methylbenzene (CID 46313945) is 1-fluoro-3-(4-fluorophenyl)-2-methylbenzene.
What is the SMILES notation for 1-fluoro-3-(4-fluorophenyl)-2-methylbenzene?
The canonical SMILES for 1-fluoro-3-(4-fluorophenyl)-2-methylbenzene is Cc1c(F)cccc1-c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-3-(4-fluorophenyl)-2-methylbenzene?
The InChIKey is QZQQOADXAPEZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2/c1-9-12(3-2-4-13(9)15)10-5-7-11(14)8-6-10/h2-8H,1H3.
What are the key properties of 1-fluoro-3-(4-fluorophenyl)-2-methylbenzene?
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene has a molecular weight of 204.22 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-fluorophenyl)-2-methylbenzene is sourced from PubChem (CID 46313945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).