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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Related Compounds

4-[difluoro-(2-fluorophenyl)methoxy]-2-(trifluoromethyl)aniline
CID 175021261
3-[difluoro-(2-fluorophenyl)methoxy]aniline
CID 175208766
5-[4-[(2-chloro-3-fluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 144684832
[3-[difluoro-(2-fluorophenyl)methoxy]phenyl]methanol
CID 91224269
4-[difluoro-(2-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 175020161
[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]boronic acid
CID 58444589
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513
CID 69226515
CID 69226515
1-[difluoro(methylperoxy)methyl]-2-fluorobenzene
CID 161069405
2-[[4-[[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenoxy]-difluoromethyl]-3-fluorophenoxy]-difluoromethyl]-5-propyloxane
CID 89280353
1-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]phenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 135223713

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).