1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene

C13H7F5O — CID 118838147

IUPAC1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene
SMILESFc1ccc(-c2cccc(F)c2F)c(OC(F)F)c1
InChIInChI=1S/C13H7F5O/c14-7-4-5-8(11(6-7)19-13(17)18)9-2-1-3-10(15)12(9)16/h1-6,13H
InChIKeyADURDZSLZNSDER-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.37
Rot. Bonds3

About 1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene

1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene (PubChem CID 118838147) has the molecular formula C13H7F5O and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene
PubChem CID118838147
Molecular FormulaC13H7F5O
Molecular Weight274.19 g/mol
Exact Mass274.04
IUPAC Name1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene
SMILESFc1ccc(-c2cccc(F)c2F)c(OC(F)F)c1
InChIInChI=1S/C13H7F5O/c14-7-4-5-8(11(6-7)19-13(17)18)9-2-1-3-10(15)12(9)16/h1-6,13H
InChIKeyADURDZSLZNSDER-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene
CID 119008887
1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 157170971
1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene
CID 175713970
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
2-(difluoromethoxy)-4-fluoro-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118842889
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
2-(difluoromethoxy)-3-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine
CID 118848411
1-[2-(bromomethyl)-4-fluorophenyl]-2,3-difluorobenzene
CID 134619357
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073304
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene?
The IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene (CID 118838147) is 1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene is Fc1ccc(-c2cccc(F)c2F)c(OC(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene?
The InChIKey is ADURDZSLZNSDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O/c14-7-4-5-8(11(6-7)19-13(17)18)9-2-1-3-10(15)12(9)16/h1-6,13H.
What are the key properties of 1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene?
1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene has a molecular weight of 274.19 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene is sourced from PubChem (CID 118838147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).