2-fluoroethyl 2-hydroxybenzoate

C9H9FO3 — CID 158044446

IUPAC2-fluoroethyl 2-hydroxybenzoate
SMILESO=C(OCCF)c1ccccc1O
InChIInChI=1S/C9H9FO3/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,11H,5-6H2
InChIKeyBAZFQBCEFLQIAD-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.52
Rot. Bonds3

About 2-fluoroethyl 2-hydroxybenzoate

2-fluoroethyl 2-hydroxybenzoate (PubChem CID 158044446) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-fluoroethyl 2-hydroxybenzoate.

Molecular Properties

Compound Name2-fluoroethyl 2-hydroxybenzoate
PubChem CID158044446
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name2-fluoroethyl 2-hydroxybenzoate
SMILESO=C(OCCF)c1ccccc1O
InChIInChI=1S/C9H9FO3/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,11H,5-6H2
InChIKeyBAZFQBCEFLQIAD-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloroethyl 2-hydroxybenzoate
CID 13052757
[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 59101861
icosyl 2-hydroxybenzoate
CID 19044963
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
hexyl 2-hydroxybenzoate
CID 22629
hexacosyl 2-hydroxybenzoate
CID 19044965
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
4,7-diaminoheptyl 2-hydroxybenzoate
CID 67177128
magnesium;butyl 2-hydroxybenzoate;chromium;hydride
CID 174457991
magnesium;hydride;2-(2-hydroxybenzoyl)oxyethyl-trimethylazanium
CID 172995002
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-hydroxybenzoate?
The IUPAC name of 2-fluoroethyl 2-hydroxybenzoate (CID 158044446) is 2-fluoroethyl 2-hydroxybenzoate.
What is the SMILES notation for 2-fluoroethyl 2-hydroxybenzoate?
The canonical SMILES for 2-fluoroethyl 2-hydroxybenzoate is O=C(OCCF)c1ccccc1O.
What is the InChIKey of 2-fluoroethyl 2-hydroxybenzoate?
The InChIKey is BAZFQBCEFLQIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,11H,5-6H2.
What are the key properties of 2-fluoroethyl 2-hydroxybenzoate?
2-fluoroethyl 2-hydroxybenzoate has a molecular weight of 184.17 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-hydroxybenzoate is sourced from PubChem (CID 158044446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).