[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol

C11H10F6O3 — CID 106705149

IUPAC[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(OCOCC(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F6O3/c12-10(13,14)5-19-6-20-9-2-1-7(4-18)3-8(9)11(15,16)17/h1-3,18H,4-6H2
InChIKeyALFNRUCSEZVAJF-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.11
Rot. Bonds5

About [4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol

[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol (PubChem CID 106705149) has the molecular formula C11H10F6O3 and a molecular weight of 304.19 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
PubChem CID106705149
Molecular FormulaC11H10F6O3
Molecular Weight304.19 g/mol
Exact Mass304.05
IUPAC Name[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(OCOCC(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F6O3/c12-10(13,14)5-19-6-20-9-2-1-7(4-18)3-8(9)11(15,16)17/h1-3,18H,4-6H2
InChIKeyALFNRUCSEZVAJF-UHFFFAOYSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 63320753
[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol
CID 107690662
[4-(3-methylbut-2-enoxy)-3-(trifluoromethyl)phenyl]methanol
CID 55204148
[4-(hydroxymethyl)-2-(trifluoromethyl)phenyl] dihydrogen phosphate
CID 139533131
[4-(cyclopentylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320664
4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 106705056
4-(chloromethyl)-2-fluoro-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 107691406
2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106705244
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320226
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720
2-[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 107692532
[4-(1,2-oxazol-4-ylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320802

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol (CID 106705149) is [4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol is OCc1ccc(OCOCC(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of [4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is ALFNRUCSEZVAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O3/c12-10(13,14)5-19-6-20-9-2-1-7(4-18)3-8(9)11(15,16)17/h1-3,18H,4-6H2.
What are the key properties of [4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol?
[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 304.19 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 106705149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).