[2-hydroxy-4-(trifluoromethyl)phenyl] formate

C8H5F3O3 — CID 170010635

IUPAC[2-hydroxy-4-(trifluoromethyl)phenyl] formate
SMILESO=COc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C8H5F3O3/c9-8(10,11)5-1-2-7(14-4-12)6(13)3-5/h1-4,13H
InChIKeyDIGNZKLYUOICBY-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.95
Rot. Bonds2

About [2-hydroxy-4-(trifluoromethyl)phenyl] formate

[2-hydroxy-4-(trifluoromethyl)phenyl] formate (PubChem CID 170010635) has the molecular formula C8H5F3O3 and a molecular weight of 206.12 g/mol. Its IUPAC name is [2-hydroxy-4-(trifluoromethyl)phenyl] formate.

Molecular Properties

Compound Name[2-hydroxy-4-(trifluoromethyl)phenyl] formate
PubChem CID170010635
Molecular FormulaC8H5F3O3
Molecular Weight206.12 g/mol
Exact Mass206.02
IUPAC Name[2-hydroxy-4-(trifluoromethyl)phenyl] formate
SMILESO=COc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C8H5F3O3/c9-8(10,11)5-1-2-7(14-4-12)6(13)3-5/h1-4,13H
InChIKeyDIGNZKLYUOICBY-UHFFFAOYSA-N
XLogP1.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(trifluoromethyl)phenyl] formate?
The IUPAC name of [2-hydroxy-4-(trifluoromethyl)phenyl] formate (CID 170010635) is [2-hydroxy-4-(trifluoromethyl)phenyl] formate.
What is the SMILES notation for [2-hydroxy-4-(trifluoromethyl)phenyl] formate?
The canonical SMILES for [2-hydroxy-4-(trifluoromethyl)phenyl] formate is O=COc1ccc(C(F)(F)F)cc1O.
What is the InChIKey of [2-hydroxy-4-(trifluoromethyl)phenyl] formate?
The InChIKey is DIGNZKLYUOICBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O3/c9-8(10,11)5-1-2-7(14-4-12)6(13)3-5/h1-4,13H.
What are the key properties of [2-hydroxy-4-(trifluoromethyl)phenyl] formate?
[2-hydroxy-4-(trifluoromethyl)phenyl] formate has a molecular weight of 206.12 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(trifluoromethyl)phenyl] formate is sourced from PubChem (CID 170010635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).