1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane

C19H25F3O2 — CID 123154115

IUPAC1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane
SMILESCC.CC.Cc1ccc(C(F)(F)Oc2ccc(OCF)cc2)cc1
InChIInChI=1S/C15H13F3O2.2C2H6/c1-11-2-4-12(5-3-11)15(17,18)20-14-8-6-13(7-9-14)19-10-16;2*1-2/h2-9H,10H2,1H3;2*1-2H3
InChIKeyZDUMHAPBKIZNBC-UHFFFAOYSA-N
MW342.40 g/mol
LogP6.48
Rot. Bonds5

About 1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane

1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane (PubChem CID 123154115) has the molecular formula C19H25F3O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane.

Molecular Properties

Compound Name1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane
PubChem CID123154115
Molecular FormulaC19H25F3O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane
SMILESCC.CC.Cc1ccc(C(F)(F)Oc2ccc(OCF)cc2)cc1
InChIInChI=1S/C15H13F3O2.2C2H6/c1-11-2-4-12(5-3-11)15(17,18)20-14-8-6-13(7-9-14)19-10-16;2*1-2/h2-9H,10H2,1H3;2*1-2H3
InChIKeyZDUMHAPBKIZNBC-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[difluoro-(4-methylphenoxy)methyl]phenyl]methylsilane
CID 123161853
1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 161061616
1-[4-[difluoro-(4-methylphenoxy)methyl]phenyl]-2-fluoro-4-(4-methylphenyl)benzene;ethane
CID 145331542
5-[difluoro-(4-methylphenyl)methoxy]-1,3-difluoro-2-methylbenzene
CID 21138604
4-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-2-fluoro-1-methylbenzene
CID 21353267
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231
1-methyl-4-(1,1,2,2,3-pentafluoropropoxy)benzene
CID 54236481
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
5-[4-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-2-fluorophenyl]-2-fluorophenyl]-1,3-difluoro-2-methylbenzene
CID 145464102
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
4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine
CID 134486558
[4-[difluoro-(4-methylphenyl)methoxy]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane
CID 21363258

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane?
The IUPAC name of 1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane (CID 123154115) is 1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane.
What is the SMILES notation for 1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane?
The canonical SMILES for 1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane is CC.CC.Cc1ccc(C(F)(F)Oc2ccc(OCF)cc2)cc1.
What is the InChIKey of 1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane?
The InChIKey is ZDUMHAPBKIZNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2.2C2H6/c1-11-2-4-12(5-3-11)15(17,18)20-14-8-6-13(7-9-14)19-10-16;2*1-2/h2-9H,10H2,1H3;2*1-2H3.
What are the key properties of 1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane?
1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane has a molecular weight of 342.40 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-4-methylbenzene;ethane is sourced from PubChem (CID 123154115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).