1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol

C13H17F3O3 — CID 61491136

IUPAC1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
SMILESCC(O)c1ccccc1OCCCOCC(F)(F)F
InChIInChI=1S/C13H17F3O3/c1-10(17)11-5-2-3-6-12(11)19-8-4-7-18-9-13(14,15)16/h2-3,5-6,10,17H,4,7-9H2,1H3
InChIKeyUNMCNCFKYOSINS-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.09
Rot. Bonds7

About 1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol

1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol (PubChem CID 61491136) has the molecular formula C13H17F3O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
PubChem CID61491136
Molecular FormulaC13H17F3O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
SMILESCC(O)c1ccccc1OCCCOCC(F)(F)F
InChIInChI=1S/C13H17F3O3/c1-10(17)11-5-2-3-6-12(11)19-8-4-7-18-9-13(14,15)16/h2-3,5-6,10,17H,4,7-9H2,1H3
InChIKeyUNMCNCFKYOSINS-UHFFFAOYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
(1S)-1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 78932925
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-1-amine
CID 61491479
1-[5-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 62379554
1-[4-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 102948521
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
(1S)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 78947557
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol?
The IUPAC name of 1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol (CID 61491136) is 1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol.
What is the SMILES notation for 1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol?
The canonical SMILES for 1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol is CC(O)c1ccccc1OCCCOCC(F)(F)F.
What is the InChIKey of 1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol?
The InChIKey is UNMCNCFKYOSINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O3/c1-10(17)11-5-2-3-6-12(11)19-8-4-7-18-9-13(14,15)16/h2-3,5-6,10,17H,4,7-9H2,1H3.
What are the key properties of 1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol?
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol has a molecular weight of 278.27 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol is sourced from PubChem (CID 61491136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).