1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene

C25H22F6O3 — CID 14580816

IUPAC1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene
SMILESCCOc1ccc(C(COCc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)C(F)(F)F)cc1
InChIInChI=1S/C25H22F6O3/c1-2-33-20-10-6-18(7-11-20)23(25(29,30)31)16-32-15-17-4-3-5-22(14-17)34-21-12-8-19(9-13-21)24(26,27)28/h3-14,23H,2,15-16H2,1H3
InChIKeyQZTAZTGCGFLXGJ-UHFFFAOYSA-N
MW484.44 g/mol
LogP7.76
Rot. Bonds9

About 1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene

1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene (PubChem CID 14580816) has the molecular formula C25H22F6O3 and a molecular weight of 484.44 g/mol. Its IUPAC name is 1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene
PubChem CID14580816
Molecular FormulaC25H22F6O3
Molecular Weight484.44 g/mol
Exact Mass484.15
IUPAC Name1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene
SMILESCCOc1ccc(C(COCc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)C(F)(F)F)cc1
InChIInChI=1S/C25H22F6O3/c1-2-33-20-10-6-18(7-11-20)23(25(29,30)31)16-32-15-17-4-3-5-22(14-17)34-21-12-8-19(9-13-21)24(26,27)28/h3-14,23H,2,15-16H2,1H3
InChIKeyQZTAZTGCGFLXGJ-UHFFFAOYSA-N
XLogP7.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenoxy-3-[[(2S)-3,3,3-trifluoro-2-[4-(trifluoromethyl)phenyl]propoxy]methyl]benzene
CID 88526871
1-ethoxy-4-[1,1,1-trifluoro-3-[(4-fluorophenyl)methoxy]propan-2-yl]benzene;6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
CID 67940217
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-(2,2,2-trifluoroethoxy)benzene
CID 13194645
(2S)-2-[(2S)-2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]-2-(3-phenoxyphenyl)acetonitrile
CID 67877867
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
(2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine
CID 174662379
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol
CID 68720967
2-ethoxy-1,3-difluoro-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21282128
1-[3,3-dimethyl-4-[(3-phenoxyphenyl)methoxy]but-1-enyl]-4-(trifluoromethyl)benzene
CID 54487108
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine
CID 14726689

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene?
The IUPAC name of 1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene (CID 14580816) is 1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene.
What is the SMILES notation for 1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene?
The canonical SMILES for 1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene is CCOc1ccc(C(COCc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)C(F)(F)F)cc1.
What is the InChIKey of 1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene?
The InChIKey is QZTAZTGCGFLXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6O3/c1-2-33-20-10-6-18(7-11-20)23(25(29,30)31)16-32-15-17-4-3-5-22(14-17)34-21-12-8-19(9-13-21)24(26,27)28/h3-14,23H,2,15-16H2,1H3.
What are the key properties of 1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene?
1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene has a molecular weight of 484.44 g/mol, XLogP of 7.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene is sourced from PubChem (CID 14580816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).