1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene

C26H14F8O — CID 135223795

IUPAC1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene
SMILESCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc(F)c(F)c4)c(F)c3F)c(F)c2)cc1
InChIInChI=1S/C26H14F8O/c1-13-2-4-14(5-3-13)16-11-20(29)23(21(30)12-16)26(33,34)35-22-9-7-17(24(31)25(22)32)15-6-8-18(27)19(28)10-15/h2-12H,1H3
InChIKeyHMWZDJANAXKLCT-UHFFFAOYSA-N
MW494.38 g/mol
LogP8.29
Rot. Bonds5

About 1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene

1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene (PubChem CID 135223795) has the molecular formula C26H14F8O and a molecular weight of 494.38 g/mol. Its IUPAC name is 1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene
PubChem CID135223795
Molecular FormulaC26H14F8O
Molecular Weight494.38 g/mol
Exact Mass494.09
IUPAC Name1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene
SMILESCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc(F)c(F)c4)c(F)c3F)c(F)c2)cc1
InChIInChI=1S/C26H14F8O/c1-13-2-4-14(5-3-13)16-11-20(29)23(21(30)12-16)26(33,34)35-22-9-7-17(24(31)25(22)32)15-6-8-18(27)19(28)10-15/h2-12H,1H3
InChIKeyHMWZDJANAXKLCT-UHFFFAOYSA-N
XLogP8.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.38
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 135223702
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-methylphenyl)benzene
CID 20752077
1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-(4-fluorophenyl)benzene
CID 135223742
2-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-(4-methylphenyl)pyridine
CID 145497031
1-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]phenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 135223713
1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118601253
4-[4-[(3,4-difluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]benzenethiol
CID 134374860
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 118603334
2-[[4-[4-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]phenyl]sulfonylphenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 143238943
2-[4-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-methylpyridine
CID 143980156

Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene?
The IUPAC name of 1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene (CID 135223795) is 1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene is Cc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc(F)c(F)c4)c(F)c3F)c(F)c2)cc1.
What is the InChIKey of 1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene?
The InChIKey is HMWZDJANAXKLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F8O/c1-13-2-4-14(5-3-13)16-11-20(29)23(21(30)12-16)26(33,34)35-22-9-7-17(24(31)25(22)32)15-6-8-18(27)19(28)10-15/h2-12H,1H3.
What are the key properties of 1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene?
1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene has a molecular weight of 494.38 g/mol, XLogP of 8.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethoxy]-4-(3,4-difluorophenyl)-2,3-difluorobenzene is sourced from PubChem (CID 135223795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).