1-phenyl-2-(trifluoromethoxy)ethanol

C9H9F3O2 — CID 54594557

IUPAC1-phenyl-2-(trifluoromethoxy)ethanol
SMILESOC(COC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H9F3O2/c10-9(11,12)14-6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2
InChIKeyKBEAWYBOFPLQSZ-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.26
Rot. Bonds3

About 1-phenyl-2-(trifluoromethoxy)ethanol

1-phenyl-2-(trifluoromethoxy)ethanol (PubChem CID 54594557) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 1-phenyl-2-(trifluoromethoxy)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(trifluoromethoxy)ethanol
PubChem CID54594557
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name1-phenyl-2-(trifluoromethoxy)ethanol
SMILESOC(COC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H9F3O2/c10-9(11,12)14-6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2
InChIKeyKBEAWYBOFPLQSZ-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(trifluoromethoxy)ethanol?
The IUPAC name of 1-phenyl-2-(trifluoromethoxy)ethanol (CID 54594557) is 1-phenyl-2-(trifluoromethoxy)ethanol.
What is the SMILES notation for 1-phenyl-2-(trifluoromethoxy)ethanol?
The canonical SMILES for 1-phenyl-2-(trifluoromethoxy)ethanol is OC(COC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(trifluoromethoxy)ethanol?
The InChIKey is KBEAWYBOFPLQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c10-9(11,12)14-6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2.
What are the key properties of 1-phenyl-2-(trifluoromethoxy)ethanol?
1-phenyl-2-(trifluoromethoxy)ethanol has a molecular weight of 206.16 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(trifluoromethoxy)ethanol is sourced from PubChem (CID 54594557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).