4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene

C25H24F4O4 — CID 14516985

IUPAC4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene
SMILESCCOc1ccc(C(COCc2ccc(F)c(Oc3ccccc3)c2)(OC)C(F)(F)F)cc1
InChIInChI=1S/C25H24F4O4/c1-3-32-20-12-10-19(11-13-20)24(30-2,25(27,28)29)17-31-16-18-9-14-22(26)23(15-18)33-21-7-5-4-6-8-21/h4-15H,3,16-17H2,1-2H3
InChIKeyCIVMPJGHNIQBGL-UHFFFAOYSA-N
MW464.46 g/mol
LogP6.64
Rot. Bonds10

About 4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene

4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene (PubChem CID 14516985) has the molecular formula C25H24F4O4 and a molecular weight of 464.46 g/mol. Its IUPAC name is 4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene.

Molecular Properties

Compound Name4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene
PubChem CID14516985
Molecular FormulaC25H24F4O4
Molecular Weight464.46 g/mol
Exact Mass464.16
IUPAC Name4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene
SMILESCCOc1ccc(C(COCc2ccc(F)c(Oc3ccccc3)c2)(OC)C(F)(F)F)cc1
InChIInChI=1S/C25H24F4O4/c1-3-32-20-12-10-19(11-13-20)24(30-2,25(27,28)29)17-31-16-18-9-14-22(26)23(15-18)33-21-7-5-4-6-8-21/h4-15H,3,16-17H2,1-2H3
InChIKeyCIVMPJGHNIQBGL-UHFFFAOYSA-N
XLogP6.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.46
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 15582662
1-fluoro-4-[[2-methyl-2-[4-(trifluoromethoxy)phenyl]propoxy]methyl]-2-phenoxybenzene
CID 14155770
1-fluoro-4-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propoxy]methyl]-2-phenoxybenzene
CID 15582667
4-[[2-(4-tert-butylphenyl)-2-chloro-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 14516999
1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene
CID 15582674
4-[[2-chloro-3,3,3-trifluoro-2-(4-fluorophenyl)propoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 14516994
1-fluoro-4-[[2-methyl-2-(4-methylsulfanylphenyl)propoxy]methyl]-2-phenoxybenzene
CID 15582659
2-(4-bromophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol
CID 14516951
4-[[2-[4-(difluoromethoxy)phenyl]-2,3-dimethylbutoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 23313970
2-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]-4-(trifluoromethyl)thiophene
CID 70453848
2-bromo-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]phenol
CID 139695064
CID 143888632
CID 143888632

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The IUPAC name of 4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene (CID 14516985) is 4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene.
What is the SMILES notation for 4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The canonical SMILES for 4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene is CCOc1ccc(C(COCc2ccc(F)c(Oc3ccccc3)c2)(OC)C(F)(F)F)cc1.
What is the InChIKey of 4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The InChIKey is CIVMPJGHNIQBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4O4/c1-3-32-20-12-10-19(11-13-20)24(30-2,25(27,28)29)17-31-16-18-9-14-22(26)23(15-18)33-21-7-5-4-6-8-21/h4-15H,3,16-17H2,1-2H3.
What are the key properties of 4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene?
4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene has a molecular weight of 464.46 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene is sourced from PubChem (CID 14516985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).