(2-acetyloxy-3-fluorophenyl) acetate

C10H9FO4 — CID 540078

IUPAC(2-acetyloxy-3-fluorophenyl) acetate
SMILESCC(=O)Oc1cccc(F)c1OC(C)=O
InChIInChI=1S/C10H9FO4/c1-6(12)14-9-5-3-4-8(11)10(9)15-7(2)13/h3-5H,1-2H3
InChIKeySFTJLHYKOIAVMI-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.68
Rot. Bonds2

About (2-acetyloxy-3-fluorophenyl) acetate

(2-acetyloxy-3-fluorophenyl) acetate (PubChem CID 540078) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is (2-acetyloxy-3-fluorophenyl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-3-fluorophenyl) acetate
PubChem CID540078
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name(2-acetyloxy-3-fluorophenyl) acetate
SMILESCC(=O)Oc1cccc(F)c1OC(C)=O
InChIInChI=1S/C10H9FO4/c1-6(12)14-9-5-3-4-8(11)10(9)15-7(2)13/h3-5H,1-2H3
InChIKeySFTJLHYKOIAVMI-UHFFFAOYSA-N
XLogP1.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-2-phenylmethoxyphenyl) acetate
CID 10491566
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
triphenylen-1-yl acetate
CID 87276472
(2,3,6-trifluorophenyl) acetate
CID 23297688
(5-acetyloxy-1-methylnaphthalen-2-yl) acetate
CID 68947092
[2-(2-fluorophenyl)sulfanylphenyl] acetate
CID 20513500
[2-[[2-acetyloxy-3-[bis(2-acetyloxyphenyl)methyl]phenyl]-(2-acetyloxyphenyl)methyl]phenyl] acetate
CID 59317424
(2,3-diethoxyphenyl) acetate
CID 19833387
[2,3-di(propan-2-yloxy)phenyl] acetate
CID 19833391
(2,6-dihydroxyphenyl) acetate
CID 19910305
2,6-diacetyloxybenzoic acid
CID 10007406

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-3-fluorophenyl) acetate?
The IUPAC name of (2-acetyloxy-3-fluorophenyl) acetate (CID 540078) is (2-acetyloxy-3-fluorophenyl) acetate.
What is the SMILES notation for (2-acetyloxy-3-fluorophenyl) acetate?
The canonical SMILES for (2-acetyloxy-3-fluorophenyl) acetate is CC(=O)Oc1cccc(F)c1OC(C)=O.
What is the InChIKey of (2-acetyloxy-3-fluorophenyl) acetate?
The InChIKey is SFTJLHYKOIAVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c1-6(12)14-9-5-3-4-8(11)10(9)15-7(2)13/h3-5H,1-2H3.
What are the key properties of (2-acetyloxy-3-fluorophenyl) acetate?
(2-acetyloxy-3-fluorophenyl) acetate has a molecular weight of 212.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-3-fluorophenyl) acetate is sourced from PubChem (CID 540078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).