(2-fluoro-4,5-dihydroxyphenyl) acetate

C8H7FO4 — CID 91585286

IUPAC(2-fluoro-4,5-dihydroxyphenyl) acetate
SMILESCC(=O)Oc1cc(O)c(O)cc1F
InChIInChI=1S/C8H7FO4/c1-4(10)13-8-3-7(12)6(11)2-5(8)9/h2-3,11-12H,1H3
InChIKeyBDNXUBADAJLLCJ-UHFFFAOYSA-N
MW186.14 g/mol
LogP1.16
Rot. Bonds1

About (2-fluoro-4,5-dihydroxyphenyl) acetate

(2-fluoro-4,5-dihydroxyphenyl) acetate (PubChem CID 91585286) has the molecular formula C8H7FO4 and a molecular weight of 186.14 g/mol. Its IUPAC name is (2-fluoro-4,5-dihydroxyphenyl) acetate.

Molecular Properties

Compound Name(2-fluoro-4,5-dihydroxyphenyl) acetate
PubChem CID91585286
Molecular FormulaC8H7FO4
Molecular Weight186.14 g/mol
Exact Mass186.03
IUPAC Name(2-fluoro-4,5-dihydroxyphenyl) acetate
SMILESCC(=O)Oc1cc(O)c(O)cc1F
InChIInChI=1S/C8H7FO4/c1-4(10)13-8-3-7(12)6(11)2-5(8)9/h2-3,11-12H,1H3
InChIKeyBDNXUBADAJLLCJ-UHFFFAOYSA-N
XLogP1.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,3,4-trifluoro-5-hydroxyphenyl) acetate
CID 164772497
2-(4-acetyloxy-2,5-difluorophenyl)acetic acid
CID 166114241
(2,4-difluoro-5-nitrophenyl) acetate
CID 174766654
[5-(aminomethyl)-2-fluorophenyl] acetate
CID 174670603
[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
CID 165120813
(4-acetyloxyfuran-3-yl) acetate
CID 159892676
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
[2-fluoro-5-(3-hydroxypropyl)phenyl] acetate
CID 68980533
[4-[(carbonofluoridoylamino)methyl]-2-fluorophenyl] acetate
CID 165120776
(4-tert-butyl-2-hydroxyphenyl) acetate
CID 13029116

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,5-dihydroxyphenyl) acetate?
The IUPAC name of (2-fluoro-4,5-dihydroxyphenyl) acetate (CID 91585286) is (2-fluoro-4,5-dihydroxyphenyl) acetate.
What is the SMILES notation for (2-fluoro-4,5-dihydroxyphenyl) acetate?
The canonical SMILES for (2-fluoro-4,5-dihydroxyphenyl) acetate is CC(=O)Oc1cc(O)c(O)cc1F.
What is the InChIKey of (2-fluoro-4,5-dihydroxyphenyl) acetate?
The InChIKey is BDNXUBADAJLLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO4/c1-4(10)13-8-3-7(12)6(11)2-5(8)9/h2-3,11-12H,1H3.
What are the key properties of (2-fluoro-4,5-dihydroxyphenyl) acetate?
(2-fluoro-4,5-dihydroxyphenyl) acetate has a molecular weight of 186.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,5-dihydroxyphenyl) acetate is sourced from PubChem (CID 91585286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).