5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene

C14H6F8O — CID 134474831

IUPAC5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESFc1ccccc1C(F)(F)Oc1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H6F8O/c15-9-4-2-1-3-8(9)14(21,22)23-7-5-10(16)12(11(17)6-7)13(18,19)20/h1-6H
InChIKeyQIFILCHLHRPJMY-UHFFFAOYSA-N
MW342.19 g/mol
LogP5.25
Rot. Bonds3

About 5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene

5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene (PubChem CID 134474831) has the molecular formula C14H6F8O and a molecular weight of 342.19 g/mol. Its IUPAC name is 5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene
PubChem CID134474831
Molecular FormulaC14H6F8O
Molecular Weight342.19 g/mol
Exact Mass342.03
IUPAC Name5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene
SMILESFc1ccccc1C(F)(F)Oc1cc(F)c(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H6F8O/c15-9-4-2-1-3-8(9)14(21,22)23-7-5-10(16)12(11(17)6-7)13(18,19)20/h1-6H
InChIKeyQIFILCHLHRPJMY-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.19
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene (CID 134474831) is 5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene is Fc1ccccc1C(F)(F)Oc1cc(F)c(C(F)(F)F)c(F)c1.
What is the InChIKey of 5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene?
The InChIKey is QIFILCHLHRPJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F8O/c15-9-4-2-1-3-8(9)14(21,22)23-7-5-10(16)12(11(17)6-7)13(18,19)20/h1-6H.
What are the key properties of 5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene?
5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene has a molecular weight of 342.19 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro-(2-fluorophenyl)methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 134474831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).