2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid

C11H13FO3S — CID 63099095

IUPAC2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid
SMILESCCOC(CSc1ccccc1F)C(=O)O
InChIInChI=1S/C11H13FO3S/c1-2-15-9(11(13)14)7-16-10-6-4-3-5-8(10)12/h3-6,9H,2,7H2,1H3,(H,13,14)
InChIKeyNCRZZPPBQZCPNJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.41
Rot. Bonds6

About 2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid

2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid (PubChem CID 63099095) has the molecular formula C11H13FO3S and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid
PubChem CID63099095
Molecular FormulaC11H13FO3S
Molecular Weight244.29 g/mol
Exact Mass244.06
IUPAC Name2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid
SMILESCCOC(CSc1ccccc1F)C(=O)O
InChIInChI=1S/C11H13FO3S/c1-2-15-9(11(13)14)7-16-10-6-4-3-5-8(10)12/h3-6,9H,2,7H2,1H3,(H,13,14)
InChIKeyNCRZZPPBQZCPNJ-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-difluorophenyl)sulfanyl-2-ethoxypropanoic acid
CID 63099819
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
2-ethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 63099315
2-ethoxy-3-phenylpropanoic acid
CID 54403311
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 60623990
1-(2-fluorophenyl)sulfanyl-3-methylpentan-2-one
CID 79446136
2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid
CID 63098622
2-ethoxy-4-(4-fluorophenyl)sulfanylbutanoic acid
CID 63100133
2-ethoxy-3-phenoxypropanoic acid
CID 63074298
ethyl 4-(2-fluorophenyl)sulfanylbutanoate
CID 78846357
1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66051325
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid?
The IUPAC name of 2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid (CID 63099095) is 2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid.
What is the SMILES notation for 2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid?
The canonical SMILES for 2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid is CCOC(CSc1ccccc1F)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid?
The InChIKey is NCRZZPPBQZCPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3S/c1-2-15-9(11(13)14)7-16-10-6-4-3-5-8(10)12/h3-6,9H,2,7H2,1H3,(H,13,14).
What are the key properties of 2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid?
2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid is sourced from PubChem (CID 63099095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).