2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane

C20H20F4O2 — CID 145301371

IUPAC2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane
SMILESCc1ccc(-c2ccc(OCC3CCC(C)CO3)c(F)c2F)c(F)c1F
InChIInChI=1S/C20H20F4O2/c1-11-3-5-13(25-9-11)10-26-16-8-7-15(19(23)20(16)24)14-6-4-12(2)17(21)18(14)22/h4,6-8,11,13H,3,5,9-10H2,1-2H3
InChIKeyYMKAORCHFNSYHP-UHFFFAOYSA-N
MW368.37 g/mol
LogP5.41
Rot. Bonds4

About 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane

2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane (PubChem CID 145301371) has the molecular formula C20H20F4O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane.

Molecular Properties

Compound Name2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane
PubChem CID145301371
Molecular FormulaC20H20F4O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane
SMILESCc1ccc(-c2ccc(OCC3CCC(C)CO3)c(F)c2F)c(F)c1F
InChIInChI=1S/C20H20F4O2/c1-11-3-5-13(25-9-11)10-26-16-8-7-15(19(23)20(16)24)14-6-4-12(2)17(21)18(14)22/h4,6-8,11,13H,3,5,9-10H2,1-2H3
InChIKeyYMKAORCHFNSYHP-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane with MolForge

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Related Compounds

2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796
2-[[4-[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]phenyl]-2-fluorophenoxy]methyl]-5-methyloxane
CID 89045959
2-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]ethyl]-5-methyloxane
CID 70866846
1-butoxy-4-[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-2,3-difluorophenyl]-2,3-difluorobenzene
CID 88856310
CID 88998272
CID 88998272
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-methylbenzene
CID 118188447
2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
CID 147972497
5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535845
5-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethyloxane
CID 126764859
2-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-3-fluorophenyl]ethynyl]-5-methyloxane
CID 70820798
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
(2S)-2-(2,3-difluoro-4-methylphenyl)-5-methyloxane
CID 118188483

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane?
The IUPAC name of 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane (CID 145301371) is 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane.
What is the SMILES notation for 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane?
The canonical SMILES for 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane is Cc1ccc(-c2ccc(OCC3CCC(C)CO3)c(F)c2F)c(F)c1F.
What is the InChIKey of 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane?
The InChIKey is YMKAORCHFNSYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4O2/c1-11-3-5-13(25-9-11)10-26-16-8-7-15(19(23)20(16)24)14-6-4-12(2)17(21)18(14)22/h4,6-8,11,13H,3,5,9-10H2,1-2H3.
What are the key properties of 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane?
2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane has a molecular weight of 368.37 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenoxy]methyl]-5-methyloxane is sourced from PubChem (CID 145301371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).