2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane

C25H26F4O — CID 143209927

IUPAC2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane
SMILESCC.Cc1ccc(-c2cc(C)c(C(F)(F)Oc3cc(C)c(F)c(F)c3)c(C)c2)cc1
InChIInChI=1S/C23H20F4O.C2H6/c1-13-5-7-17(8-6-13)18-9-14(2)21(15(3)10-18)23(26,27)28-19-11-16(4)22(25)20(24)12-19;1-2/h5-12H,1-4H3;1-2H3
InChIKeyREVWECVNQMNXMA-UHFFFAOYSA-N
MW418.47 g/mol
LogP8.02
Rot. Bonds4

About 2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane

2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane (PubChem CID 143209927) has the molecular formula C25H26F4O and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane.

Molecular Properties

Compound Name2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane
PubChem CID143209927
Molecular FormulaC25H26F4O
Molecular Weight418.47 g/mol
Exact Mass418.19
IUPAC Name2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane
SMILESCC.Cc1ccc(-c2cc(C)c(C(F)(F)Oc3cc(C)c(F)c(F)c3)c(C)c2)cc1
InChIInChI=1S/C23H20F4O.C2H6/c1-13-5-7-17(8-6-13)18-9-14(2)21(15(3)10-18)23(26,27)28-19-11-16(4)22(25)20(24)12-19;1-2/h5-12H,1-4H3;1-2H3
InChIKeyREVWECVNQMNXMA-UHFFFAOYSA-N
XLogP8.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-2-fluoro-1-methylbenzene
CID 21353267
2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 134222331
6-[4-[difluoro-(2,4,6-trimethylphenyl)methoxy]phenyl]-1,3,8-trifluoro-2-methylnaphthalene
CID 58755953
[2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]phosphane
CID 134374990
1-[difluoro-(4-methylphenoxy)methyl]-4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorobenzene
CID 129159429
1-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]phenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 135223713
2-(3,5-difluoro-4-methylphenyl)-6-[difluoro-(2,4,6-trimethylphenyl)methoxy]naphthalene
CID 58755996
2-[[3,4-difluoro-5-(fluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 134479170
2-[2,2-difluoro-2-(3,4,5-trifluorophenoxy)ethyl]-1,3-difluoro-5-(4-methylphenyl)benzene
CID 134568871
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 20654145
2-[4-[difluoro-[4-(4-methylphenyl)phenoxy]methyl]-2,3-difluoro-5-methylphenyl]oxirane
CID 89217523
2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-methylbenzene
CID 21138534

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane?
The IUPAC name of 2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane (CID 143209927) is 2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane.
What is the SMILES notation for 2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane?
The canonical SMILES for 2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane is CC.Cc1ccc(-c2cc(C)c(C(F)(F)Oc3cc(C)c(F)c(F)c3)c(C)c2)cc1.
What is the InChIKey of 2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane?
The InChIKey is REVWECVNQMNXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4O.C2H6/c1-13-5-7-17(8-6-13)18-9-14(2)21(15(3)10-18)23(26,27)28-19-11-16(4)22(25)20(24)12-19;1-2/h5-12H,1-4H3;1-2H3.
What are the key properties of 2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane?
2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane has a molecular weight of 418.47 g/mol, XLogP of 8.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-1,3-dimethyl-5-(4-methylphenyl)benzene;ethane is sourced from PubChem (CID 143209927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).