1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene

C13H9F3O — CID 118973930

IUPAC1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene
SMILESCc1cc(Oc2cccc(F)c2)c(F)cc1F
InChIInChI=1S/C13H9F3O/c1-8-5-13(12(16)7-11(8)15)17-10-4-2-3-9(14)6-10/h2-7H,1H3
InChIKeyRTQROCYQTQJBMX-UHFFFAOYSA-N
MW238.21 g/mol
LogP4.20
Rot. Bonds2

About 1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene

1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene (PubChem CID 118973930) has the molecular formula C13H9F3O and a molecular weight of 238.21 g/mol. Its IUPAC name is 1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene.

Molecular Properties

Compound Name1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene
PubChem CID118973930
Molecular FormulaC13H9F3O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene
SMILESCc1cc(Oc2cccc(F)c2)c(F)cc1F
InChIInChI=1S/C13H9F3O/c1-8-5-13(12(16)7-11(8)15)17-10-4-2-3-9(14)6-10/h2-7H,1H3
InChIKeyRTQROCYQTQJBMX-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
[2-(3-fluorophenoxy)phenyl]boronic acid
CID 69091100
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
2-(3-fluorophenoxy)-3-methylaniline
CID 115550847
2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol
CID 71240329
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
3-(2,4-difluorophenoxy)aniline
CID 71424948

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene?
The IUPAC name of 1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene (CID 118973930) is 1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene.
What is the SMILES notation for 1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene?
The canonical SMILES for 1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene is Cc1cc(Oc2cccc(F)c2)c(F)cc1F.
What is the InChIKey of 1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene?
The InChIKey is RTQROCYQTQJBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O/c1-8-5-13(12(16)7-11(8)15)17-10-4-2-3-9(14)6-10/h2-7H,1H3.
What are the key properties of 1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene?
1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene has a molecular weight of 238.21 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene is sourced from PubChem (CID 118973930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).