(2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate

C8H3F5O3 — CID 145086138

IUPAC(2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate
SMILESO=C(Oc1ccc(O)c(F)c1F)C(F)(F)F
InChIInChI=1S/C8H3F5O3/c9-5-3(14)1-2-4(6(5)10)16-7(15)8(11,12)13/h1-2,14H
InChIKeyHBRWCVOUSFYTOJ-UHFFFAOYSA-N
MW242.10 g/mol
LogP2.14
Rot. Bonds1

About (2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate

(2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate (PubChem CID 145086138) has the molecular formula C8H3F5O3 and a molecular weight of 242.10 g/mol. Its IUPAC name is (2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate
PubChem CID145086138
Molecular FormulaC8H3F5O3
Molecular Weight242.10 g/mol
Exact Mass242.00
IUPAC Name(2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate
SMILESO=C(Oc1ccc(O)c(F)c1F)C(F)(F)F
InChIInChI=1S/C8H3F5O3/c9-5-3(14)1-2-4(6(5)10)16-7(15)8(11,12)13/h1-2,14H
InChIKeyHBRWCVOUSFYTOJ-UHFFFAOYSA-N
XLogP2.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate?
The IUPAC name of (2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate (CID 145086138) is (2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate is O=C(Oc1ccc(O)c(F)c1F)C(F)(F)F.
What is the InChIKey of (2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate?
The InChIKey is HBRWCVOUSFYTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5O3/c9-5-3(14)1-2-4(6(5)10)16-7(15)8(11,12)13/h1-2,14H.
What are the key properties of (2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate?
(2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate has a molecular weight of 242.10 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-hydroxyphenyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 145086138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).