2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid

C10H11FO3S — CID 43237542

IUPAC2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCOc1ccc(F)cc1
InChIInChI=1S/C10H11FO3S/c11-8-1-3-9(4-2-8)14-5-6-15-7-10(12)13/h1-4H,5-7H2,(H,12,13)
InChIKeyDMXUGDQXMNNKOJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.02
Rot. Bonds6

About 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid

2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid (PubChem CID 43237542) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid
PubChem CID43237542
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCOc1ccc(F)cc1
InChIInChI=1S/C10H11FO3S/c11-8-1-3-9(4-2-8)14-5-6-15-7-10(12)13/h1-4H,5-7H2,(H,12,13)
InChIKeyDMXUGDQXMNNKOJ-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(carboxymethylsulfanyl)ethoxy]benzoic acid
CID 23009893
2-[3-(4-chlorophenoxy)propylsulfanyl]acetic acid
CID 43242208
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetic acid
CID 43091595
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
N-(4-fluorophenyl)-2-(3-phenoxypropylsulfanyl)acetamide
CID 7731614
2-[2-(4-fluorophenoxy)ethylsulfanyl]benzoic acid
CID 43238210
5-(4-fluorophenoxy)-2-oxopentanoic acid
CID 57302572
4-[3-(4-fluorophenyl)sulfanylpropoxy]benzoic acid
CID 63099439
4-(4-fluorophenoxy)butanamide
CID 43244704
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8928706
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
3-[2-(4-cyanophenoxy)ethylsulfanyl]propanoic acid
CID 43238038

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid (CID 43237542) is 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid is O=C(O)CSCCOc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid?
The InChIKey is DMXUGDQXMNNKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c11-8-1-3-9(4-2-8)14-5-6-15-7-10(12)13/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid?
2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid has a molecular weight of 230.26 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethylsulfanyl]acetic acid is sourced from PubChem (CID 43237542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).