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

C14H12F2O — CID 118149723

IUPAC3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene
SMILESCOc1ccc(-c2ccccc2F)c(C)c1F
InChIInChI=1S/C14H12F2O/c1-9-10(7-8-13(17-2)14(9)16)11-5-3-4-6-12(11)15/h3-8H,1-2H3
InChIKeyJYYVLXLNCPZPEA-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.95
Rot. Bonds2

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

3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene (PubChem CID 118149723) has the molecular formula C14H12F2O and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene
PubChem CID118149723
Molecular FormulaC14H12F2O
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene
SMILESCOc1ccc(-c2ccccc2F)c(C)c1F
InChIInChI=1S/C14H12F2O/c1-9-10(7-8-13(17-2)14(9)16)11-5-3-4-6-12(11)15/h3-8H,1-2H3
InChIKeyJYYVLXLNCPZPEA-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene?
The IUPAC name of 3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene (CID 118149723) is 3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene.
What is the SMILES notation for 3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene?
The canonical SMILES for 3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene is COc1ccc(-c2ccccc2F)c(C)c1F.
What is the InChIKey of 3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene?
The InChIKey is JYYVLXLNCPZPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O/c1-9-10(7-8-13(17-2)14(9)16)11-5-3-4-6-12(11)15/h3-8H,1-2H3.
What are the key properties of 3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene?
3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene has a molecular weight of 234.25 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-fluorophenyl)-4-methoxy-2-methylbenzene is sourced from PubChem (CID 118149723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).