ethyl 4,5-difluoro-2-hydroxybenzoate

C9H8F2O3 — CID 18452909

IUPACethyl 4,5-difluoro-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(F)c(F)cc1O
InChIInChI=1S/C9H8F2O3/c1-2-14-9(13)5-3-6(10)7(11)4-8(5)12/h3-4,12H,2H2,1H3
InChIKeyAGNZWDRYNPSTCD-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.85
Rot. Bonds2

About ethyl 4,5-difluoro-2-hydroxybenzoate

ethyl 4,5-difluoro-2-hydroxybenzoate (PubChem CID 18452909) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is ethyl 4,5-difluoro-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4,5-difluoro-2-hydroxybenzoate
PubChem CID18452909
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Nameethyl 4,5-difluoro-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(F)c(F)cc1O
InChIInChI=1S/C9H8F2O3/c1-2-14-9(13)5-3-6(10)7(11)4-8(5)12/h3-4,12H,2H2,1H3
InChIKeyAGNZWDRYNPSTCD-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,3,5-trifluoro-4-hydroxybenzoate
CID 46311393
4-ethoxycarbonyl-2,5-difluorobenzoic acid
CID 22961761
ethyl 4-ethylperoxycarbonyl-2,5-dihydroxybenzoate
CID 21031386
ethyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 131016117
ethyl 2,3,4-trichloro-5-fluorobenzoate
CID 81445840
ethyl 2-hydroxy-4-iodo-5-methylbenzoate
CID 166715745
ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 135741598
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
ethyl 2,3,5-trihydroxybenzoate
CID 139843169
2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
CID 10444484
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
ethyl 5-bromo-4-chloro-2-hydroxybenzoate
CID 19701624

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-difluoro-2-hydroxybenzoate?
The IUPAC name of ethyl 4,5-difluoro-2-hydroxybenzoate (CID 18452909) is ethyl 4,5-difluoro-2-hydroxybenzoate.
What is the SMILES notation for ethyl 4,5-difluoro-2-hydroxybenzoate?
The canonical SMILES for ethyl 4,5-difluoro-2-hydroxybenzoate is CCOC(=O)c1cc(F)c(F)cc1O.
What is the InChIKey of ethyl 4,5-difluoro-2-hydroxybenzoate?
The InChIKey is AGNZWDRYNPSTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-2-14-9(13)5-3-6(10)7(11)4-8(5)12/h3-4,12H,2H2,1H3.
What are the key properties of ethyl 4,5-difluoro-2-hydroxybenzoate?
ethyl 4,5-difluoro-2-hydroxybenzoate has a molecular weight of 202.16 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-difluoro-2-hydroxybenzoate is sourced from PubChem (CID 18452909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).