5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene

C15H12F4O — CID 21138604

IUPAC5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene
SMILESCc1ccc(C(F)(F)Oc2cc(F)c(C)c(F)c2)cc1
InChIInChI=1S/C15H12F4O/c1-9-3-5-11(6-4-9)15(18,19)20-12-7-13(16)10(2)14(17)8-12/h3-8H,1-2H3
InChIKeyYOZNZKFUBATQCC-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.71
Rot. Bonds3

About 5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene

5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene (PubChem CID 21138604) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is 5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene.

Molecular Properties

Compound Name5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene
PubChem CID21138604
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene
SMILESCc1ccc(C(F)(F)Oc2cc(F)c(C)c(F)c2)cc1
InChIInChI=1S/C15H12F4O/c1-9-3-5-11(6-4-9)15(18,19)20-12-7-13(16)10(2)14(17)8-12/h3-8H,1-2H3
InChIKeyYOZNZKFUBATQCC-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[difluoro-(4-methylphenyl)methoxy]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane
CID 21363258
4-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-2-fluoro-1-methylbenzene
CID 21353267
[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]phenyl]phenyl]methylsilane
CID 123857740
4-[difluoro-(4-methylphenyl)methoxy]-2,6-difluorobenzonitrile;methane
CID 158309078
5-[4-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-methylbenzene
CID 145464102
1-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]phenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 135223713
5-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-1,3-difluoro-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 88999007
1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;4-[difluoro-(4-methylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 143266126
1-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-2-fluoro-4-(4-methylphenyl)benzene;ethane
CID 145331542
1-[difluoro-(4-methylphenoxy)methyl]-4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorobenzene
CID 129159429
4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 59933487
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
CID 21138534

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene?
The IUPAC name of 5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene (CID 21138604) is 5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene.
What is the SMILES notation for 5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene?
The canonical SMILES for 5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene is Cc1ccc(C(F)(F)Oc2cc(F)c(C)c(F)c2)cc1.
What is the InChIKey of 5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene?
The InChIKey is YOZNZKFUBATQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c1-9-3-5-11(6-4-9)15(18,19)20-12-7-13(16)10(2)14(17)8-12/h3-8H,1-2H3.
What are the key properties of 5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene?
5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene has a molecular weight of 284.25 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene is sourced from PubChem (CID 21138604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).