2-[(2-fluorophenyl)methylsulfanyl]propanoic acid

C10H11FO2S — CID 24706071

IUPAC2-[(2-fluorophenyl)methylsulfanyl]propanoic acid
SMILESCC(SCc1ccccc1F)C(=O)O
InChIInChI=1S/C10H11FO2S/c1-7(10(12)13)14-6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyJQNXCBZLKICCQX-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.53
Rot. Bonds4

About 2-[(2-fluorophenyl)methylsulfanyl]propanoic acid

2-[(2-fluorophenyl)methylsulfanyl]propanoic acid (PubChem CID 24706071) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]propanoic acid
PubChem CID24706071
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]propanoic acid
SMILESCC(SCc1ccccc1F)C(=O)O
InChIInChI=1S/C10H11FO2S/c1-7(10(12)13)14-6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyJQNXCBZLKICCQX-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579031
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
2-[(2-cyanophenyl)methylsulfanyl]propanoic acid
CID 24691574
2-[2-(carboxymethyl)phenyl]sulfanylpropanoic acid
CID 10444309
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
2-[(2-fluorophenyl)methylsulfanyl]benzoic acid
CID 2462926
2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
CID 114832240
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967
2-[(2-fluorophenyl)methylamino]-3-methylbutanoic acid;hydrochloride
CID 163331541
2-[(2-amino-4-chlorophenyl)methylsulfanyl]propanoic acid
CID 154087827
(2S)-2-amino-4-[(2-fluorophenyl)methylsulfanyl]butanoic acid
CID 57255612
2-[(2,3-difluorophenyl)methylsulfanyl]butanoic acid
CID 105353040

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]propanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]propanoic acid (CID 24706071) is 2-[(2-fluorophenyl)methylsulfanyl]propanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]propanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]propanoic acid is CC(SCc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]propanoic acid?
The InChIKey is JQNXCBZLKICCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-7(10(12)13)14-6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]propanoic acid?
2-[(2-fluorophenyl)methylsulfanyl]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 24706071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).