3-(2,2,2-trifluoroethoxymethoxy)phenol

C9H9F3O3 — CID 106705299

IUPAC3-(2,2,2-trifluoroethoxymethoxy)phenol
SMILESOc1cccc(OCOCC(F)(F)F)c1
InChIInChI=1S/C9H9F3O3/c10-9(11,12)5-14-6-15-8-3-1-2-7(13)4-8/h1-4,13H,5-6H2
InChIKeyFHCQUJVWCZEFCG-UHFFFAOYSA-N
MW222.16 g/mol
LogP2.31
Rot. Bonds4

About 3-(2,2,2-trifluoroethoxymethoxy)phenol

3-(2,2,2-trifluoroethoxymethoxy)phenol (PubChem CID 106705299) has the molecular formula C9H9F3O3 and a molecular weight of 222.16 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxymethoxy)phenol.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxymethoxy)phenol
PubChem CID106705299
Molecular FormulaC9H9F3O3
Molecular Weight222.16 g/mol
Exact Mass222.05
IUPAC Name3-(2,2,2-trifluoroethoxymethoxy)phenol
SMILESOc1cccc(OCOCC(F)(F)F)c1
InChIInChI=1S/C9H9F3O3/c10-9(11,12)5-14-6-15-8-3-1-2-7(13)4-8/h1-4,13H,5-6H2
InChIKeyFHCQUJVWCZEFCG-UHFFFAOYSA-N
XLogP2.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxymethoxy)phenol?
The IUPAC name of 3-(2,2,2-trifluoroethoxymethoxy)phenol (CID 106705299) is 3-(2,2,2-trifluoroethoxymethoxy)phenol.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxymethoxy)phenol?
The canonical SMILES for 3-(2,2,2-trifluoroethoxymethoxy)phenol is Oc1cccc(OCOCC(F)(F)F)c1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxymethoxy)phenol?
The InChIKey is FHCQUJVWCZEFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3/c10-9(11,12)5-14-6-15-8-3-1-2-7(13)4-8/h1-4,13H,5-6H2.
What are the key properties of 3-(2,2,2-trifluoroethoxymethoxy)phenol?
3-(2,2,2-trifluoroethoxymethoxy)phenol has a molecular weight of 222.16 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxymethoxy)phenol is sourced from PubChem (CID 106705299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).