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

C13H10F2 — CID 46313949

IUPAC1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
SMILESCc1ccc(F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H10F2/c1-9-5-6-13(15)12(7-9)10-3-2-4-11(14)8-10/h2-8H,1H3
InChIKeyOYSBPWXOQAEARL-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.94
Rot. Bonds1

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

1-fluoro-2-(3-fluorophenyl)-4-methylbenzene (PubChem CID 46313949) has the molecular formula C13H10F2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-fluoro-2-(3-fluorophenyl)-4-methylbenzene.

Molecular Properties

Compound Name1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
PubChem CID46313949
Molecular FormulaC13H10F2
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
SMILESCc1ccc(F)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H10F2/c1-9-5-6-13(15)12(7-9)10-3-2-4-11(14)8-10/h2-8H,1H3
InChIKeyOYSBPWXOQAEARL-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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(3-fluorophenyl)-4-methylbenzene?
The IUPAC name of 1-fluoro-2-(3-fluorophenyl)-4-methylbenzene (CID 46313949) is 1-fluoro-2-(3-fluorophenyl)-4-methylbenzene.
What is the SMILES notation for 1-fluoro-2-(3-fluorophenyl)-4-methylbenzene?
The canonical SMILES for 1-fluoro-2-(3-fluorophenyl)-4-methylbenzene is Cc1ccc(F)c(-c2cccc(F)c2)c1.
What is the InChIKey of 1-fluoro-2-(3-fluorophenyl)-4-methylbenzene?
The InChIKey is OYSBPWXOQAEARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2/c1-9-5-6-13(15)12(7-9)10-3-2-4-11(14)8-10/h2-8H,1H3.
What are the key properties of 1-fluoro-2-(3-fluorophenyl)-4-methylbenzene?
1-fluoro-2-(3-fluorophenyl)-4-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-2-(3-fluorophenyl)-4-methylbenzene is sourced from PubChem (CID 46313949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).