2,2,2-trifluoroethoxymethoxymethylbenzene

C10H11F3O2 — CID 14970148

IUPAC2,2,2-trifluoroethoxymethoxymethylbenzene
SMILESFC(F)(F)COCOCc1ccccc1
InChIInChI=1S/C10H11F3O2/c11-10(12,13)7-15-8-14-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyAPZRJSUIKKLJMO-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.74
Rot. Bonds5

About 2,2,2-trifluoroethoxymethoxymethylbenzene

2,2,2-trifluoroethoxymethoxymethylbenzene (PubChem CID 14970148) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethoxymethoxymethylbenzene.

Molecular Properties

Compound Name2,2,2-trifluoroethoxymethoxymethylbenzene
PubChem CID14970148
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name2,2,2-trifluoroethoxymethoxymethylbenzene
SMILESFC(F)(F)COCOCc1ccccc1
InChIInChI=1S/C10H11F3O2/c11-10(12,13)7-15-8-14-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyAPZRJSUIKKLJMO-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,2-trifluoroethoxymethoxymethylbenzene?
The IUPAC name of 2,2,2-trifluoroethoxymethoxymethylbenzene (CID 14970148) is 2,2,2-trifluoroethoxymethoxymethylbenzene.
What is the SMILES notation for 2,2,2-trifluoroethoxymethoxymethylbenzene?
The canonical SMILES for 2,2,2-trifluoroethoxymethoxymethylbenzene is FC(F)(F)COCOCc1ccccc1.
What is the InChIKey of 2,2,2-trifluoroethoxymethoxymethylbenzene?
The InChIKey is APZRJSUIKKLJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c11-10(12,13)7-15-8-14-6-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2,2,2-trifluoroethoxymethoxymethylbenzene?
2,2,2-trifluoroethoxymethoxymethylbenzene has a molecular weight of 220.19 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethoxymethoxymethylbenzene is sourced from PubChem (CID 14970148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).