2-(4-fluorophenyl)sulfanylpropanoic acid

C9H9FO2S — CID 11820095

IUPAC2-(4-fluorophenyl)sulfanylpropanoic acid
SMILESCC(Sc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H9FO2S/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKeyDCGVRKXPYLZLIS-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.39
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanylpropanoic acid

2-(4-fluorophenyl)sulfanylpropanoic acid (PubChem CID 11820095) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylpropanoic acid
PubChem CID11820095
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name2-(4-fluorophenyl)sulfanylpropanoic acid
SMILESCC(Sc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H9FO2S/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKeyDCGVRKXPYLZLIS-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetylphenyl)sulfanylpropanoic acid
CID 43627889
2-(4-formylphenyl)sulfanylpropanoic acid
CID 112704101
2-(4-ethylsulfanylphenyl)sulfanylpropanoic acid
CID 116852440
2-(4-cyanophenyl)sulfanylpropanoic acid
CID 43188327
2-(4-butan-2-ylphenyl)sulfanylpropanoic acid
CID 116852395
1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylpropan-1-one
CID 43218364
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
2-(6-methylnaphthalen-2-yl)sulfanylpropanoic acid
CID 116852471

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylpropanoic acid?
The IUPAC name of 2-(4-fluorophenyl)sulfanylpropanoic acid (CID 11820095) is 2-(4-fluorophenyl)sulfanylpropanoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylpropanoic acid?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylpropanoic acid is CC(Sc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylpropanoic acid?
The InChIKey is DCGVRKXPYLZLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2S/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12).
What are the key properties of 2-(4-fluorophenyl)sulfanylpropanoic acid?
2-(4-fluorophenyl)sulfanylpropanoic acid has a molecular weight of 200.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylpropanoic acid is sourced from PubChem (CID 11820095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).