2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid

C10H11FO2S — CID 82158540

IUPAC2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCc1ccccc1F
InChIInChI=1S/C10H11FO2S/c11-9-4-2-1-3-8(9)5-6-14-7-10(12)13/h1-4H,5-7H2,(H,12,13)
InChIKeyCIVKAJSFNNPYSF-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.19
Rot. Bonds5

About 2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid

2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid (PubChem CID 82158540) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid
PubChem CID82158540
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCc1ccccc1F
InChIInChI=1S/C10H11FO2S/c11-9-4-2-1-3-8(9)5-6-14-7-10(12)13/h1-4H,5-7H2,(H,12,13)
InChIKeyCIVKAJSFNNPYSF-UHFFFAOYSA-N
XLogP2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene
CID 67503932
3-(2-fluorophenyl)propanoic acid
CID 2063866
2-[2-(2-methoxyphenyl)ethylsulfanyl]acetic acid
CID 94768509
3-[(2-fluorophenyl)methylsulfanyl]propanoic acid
CID 3239663
2-[2-(2,5-dichlorophenyl)ethylsulfanyl]acetic acid
CID 28813947
2-[2-(2,4-dichlorophenyl)ethylsulfanyl]acetic acid
CID 28813945
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
2-deuterio-2-(2-fluorophenyl)acetic acid
CID 139238506
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid (CID 82158540) is 2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid is O=C(O)CSCCc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid?
The InChIKey is CIVKAJSFNNPYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c11-9-4-2-1-3-8(9)5-6-14-7-10(12)13/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid?
2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid is sourced from PubChem (CID 82158540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).