2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene

C15H12F4O — CID 21138534

IUPAC2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
SMILESCc1ccc(OC(F)(F)c2c(F)cc(C)cc2F)cc1
InChIInChI=1S/C15H12F4O/c1-9-3-5-11(6-4-9)20-15(18,19)14-12(16)7-10(2)8-13(14)17/h3-8H,1-2H3
InChIKeyYMEFIWQFGQSPKH-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.71
Rot. Bonds3

About 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene

2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene (PubChem CID 21138534) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene.

Molecular Properties

Compound Name2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
PubChem CID21138534
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
SMILESCc1ccc(OC(F)(F)c2c(F)cc(C)cc2F)cc1
InChIInChI=1S/C15H12F4O/c1-9-3-5-11(6-4-9)20-15(18,19)14-12(16)7-10(2)8-13(14)17/h3-8H,1-2H3
InChIKeyYMEFIWQFGQSPKH-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

2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 143238943
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 20752077
5-bromo-2-[(4-bromophenoxy)-difluoromethyl]-1,3-difluorobenzene
CID 86677430
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 134236074
1-[difluoro-(4-methylphenoxy)methyl]-4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorobenzene
CID 129159429
2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 134222331
5-chloro-2-[[4-(3,4-difluorophenyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 58738372
2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine
CID 145497031
2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene
CID 58755996
5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene
CID 21138604
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2-[4-[difluoro-[4-(4-methylphenyl)phenoxy]methyl]-2,3-difluoro-5-methylphenyl]oxirane
CID 89217523

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene?
The IUPAC name of 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene (CID 21138534) is 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene.
What is the SMILES notation for 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene?
The canonical SMILES for 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene is Cc1ccc(OC(F)(F)c2c(F)cc(C)cc2F)cc1.
What is the InChIKey of 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene?
The InChIKey is YMEFIWQFGQSPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c1-9-3-5-11(6-4-9)20-15(18,19)14-12(16)7-10(2)8-13(14)17/h3-8H,1-2H3.
What are the key properties of 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene?
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-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 2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene is sourced from PubChem (CID 21138534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).