4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene

C15H8F8O2 — CID 166607729

IUPAC4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
SMILESFc1ccc(OCOc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C15H8F8O2/c16-8-1-3-12(10(5-8)14(18,19)20)24-7-25-13-4-2-9(17)6-11(13)15(21,22)23/h1-6H,7H2
InChIKeyXRGAHNIPTACAFO-UHFFFAOYSA-N
MW372.21 g/mol
LogP5.42
Rot. Bonds4

About 4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene

4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene (PubChem CID 166607729) has the molecular formula C15H8F8O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is 4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
PubChem CID166607729
Molecular FormulaC15H8F8O2
Molecular Weight372.21 g/mol
Exact Mass372.04
IUPAC Name4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
SMILESFc1ccc(OCOc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C15H8F8O2/c16-8-1-3-12(10(5-8)14(18,19)20)24-7-25-13-4-2-9(17)6-11(13)15(21,22)23/h1-6H,7H2
InChIKeyXRGAHNIPTACAFO-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.21
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-[[4-bromo-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene
CID 166607724
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
CID 77492759
4-(methoxymethoxy)-3-(trifluoromethyl)aniline
CID 65365194
1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 145450835
4-[(2-bromo-5-fluorophenyl)methoxy]-3-(trifluoromethyl)aniline
CID 63404713
4-fluoro-1-(1,1,2-trifluoroethyl)-2-(trifluoromethyl)benzene
CID 21036142
potassium trifluoro-[5-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705318
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 89437014
[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 106705149
3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1,2,4-triazole
CID 163359380
1-[5-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]-N-methylmethanamine
CID 107695379

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene?
The IUPAC name of 4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene (CID 166607729) is 4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene is Fc1ccc(OCOc2ccc(F)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene?
The InChIKey is XRGAHNIPTACAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F8O2/c16-8-1-3-12(10(5-8)14(18,19)20)24-7-25-13-4-2-9(17)6-11(13)15(21,22)23/h1-6H,7H2.
What are the key properties of 4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene?
4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene has a molecular weight of 372.21 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[[4-fluoro-2-(trifluoromethyl)phenoxy]methoxy]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 166607729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).