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

C13H10F2 — CID 46313946

IUPAC2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
SMILESCc1cccc(-c2cccc(F)c2)c1F
InChIInChI=1S/C13H10F2/c1-9-4-2-7-12(13(9)15)10-5-3-6-11(14)8-10/h2-8H,1H3
InChIKeyXBUNCVMJZCKCPN-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.94
Rot. Bonds1

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

2-fluoro-1-(3-fluorophenyl)-3-methylbenzene (PubChem CID 46313946) has the molecular formula C13H10F2 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-fluoro-1-(3-fluorophenyl)-3-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
PubChem CID46313946
Molecular FormulaC13H10F2
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
SMILESCc1cccc(-c2cccc(F)c2)c1F
InChIInChI=1S/C13H10F2/c1-9-4-2-7-12(13(9)15)10-5-3-6-11(14)8-10/h2-8H,1H3
InChIKeyXBUNCVMJZCKCPN-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 2-fluoro-1-(3-fluorophenyl)-3-methylbenzene?
The IUPAC name of 2-fluoro-1-(3-fluorophenyl)-3-methylbenzene (CID 46313946) is 2-fluoro-1-(3-fluorophenyl)-3-methylbenzene.
What is the SMILES notation for 2-fluoro-1-(3-fluorophenyl)-3-methylbenzene?
The canonical SMILES for 2-fluoro-1-(3-fluorophenyl)-3-methylbenzene is Cc1cccc(-c2cccc(F)c2)c1F.
What is the InChIKey of 2-fluoro-1-(3-fluorophenyl)-3-methylbenzene?
The InChIKey is XBUNCVMJZCKCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2/c1-9-4-2-7-12(13(9)15)10-5-3-6-11(14)8-10/h2-8H,1H3.
What are the key properties of 2-fluoro-1-(3-fluorophenyl)-3-methylbenzene?
2-fluoro-1-(3-fluorophenyl)-3-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 2-fluoro-1-(3-fluorophenyl)-3-methylbenzene is sourced from PubChem (CID 46313946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).