2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol

C12H15F3O3 — CID 139733834

IUPAC2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol
SMILESCOCCOCc1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O3/c1-17-6-7-18-8-9-2-4-10(5-3-9)11(16)12(13,14)15/h2-5,11,16H,6-8H2,1H3
InChIKeyWGQCUXHOEOBILT-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.45
Rot. Bonds6

About 2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol

2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol (PubChem CID 139733834) has the molecular formula C12H15F3O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol
PubChem CID139733834
Molecular FormulaC12H15F3O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC Name2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol
SMILESCOCCOCc1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3O3/c1-17-6-7-18-8-9-2-4-10(5-3-9)11(16)12(13,14)15/h2-5,11,16H,6-8H2,1H3
InChIKeyWGQCUXHOEOBILT-UHFFFAOYSA-N
XLogP2.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol (CID 139733834) is 2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol is COCCOCc1ccc(C(O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol?
The InChIKey is WGQCUXHOEOBILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O3/c1-17-6-7-18-8-9-2-4-10(5-3-9)11(16)12(13,14)15/h2-5,11,16H,6-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol?
2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol has a molecular weight of 264.24 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(2-methoxyethoxymethyl)phenyl]ethanol is sourced from PubChem (CID 139733834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).