1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene

C13H10F2O — CID 54548242

IUPAC1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
SMILESCc1cc(F)cc(Oc2cccc(F)c2)c1
InChIInChI=1S/C13H10F2O/c1-9-5-11(15)8-13(6-9)16-12-4-2-3-10(14)7-12/h2-8H,1H3
InChIKeyDFQSKLWMDXTNRE-UHFFFAOYSA-N
MW220.22 g/mol
LogP4.07
Rot. Bonds2

About 1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene

1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene (PubChem CID 54548242) has the molecular formula C13H10F2O and a molecular weight of 220.22 g/mol. Its IUPAC name is 1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene.

Molecular Properties

Compound Name1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
PubChem CID54548242
Molecular FormulaC13H10F2O
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
SMILESCc1cc(F)cc(Oc2cccc(F)c2)c1
InChIInChI=1S/C13H10F2O/c1-9-5-11(15)8-13(6-9)16-12-4-2-3-10(14)7-12/h2-8H,1H3
InChIKeyDFQSKLWMDXTNRE-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
CID 170963415
1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
CID 80752789
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
1-fluoro-3-(4-methylsulfanylphenoxy)benzene
CID 138722497
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
3-(3,5-difluorophenoxy)-5-methylaniline
CID 112648476
1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 176691111
1,3-difluoro-5-phenoxybenzene
CID 13455928
1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene
CID 118973930
1-(3-fluorophenoxy)-4-methylphthalazine
CID 20971235
2-(3-fluorophenoxy)-3-methylaniline
CID 115550847

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene?
The IUPAC name of 1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene (CID 54548242) is 1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene.
What is the SMILES notation for 1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene?
The canonical SMILES for 1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene is Cc1cc(F)cc(Oc2cccc(F)c2)c1.
What is the InChIKey of 1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene?
The InChIKey is DFQSKLWMDXTNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O/c1-9-5-11(15)8-13(6-9)16-12-4-2-3-10(14)7-12/h2-8H,1H3.
What are the key properties of 1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene?
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene has a molecular weight of 220.22 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene is sourced from PubChem (CID 54548242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).