3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid

C10H11FO3S — CID 61304128

IUPAC3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
SMILESCC(CS(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H11FO3S/c1-7(10(12)13)6-15(14)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyRJHRDRXIRNTYQW-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.65
Rot. Bonds4

About 3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid

3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid (PubChem CID 61304128) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
PubChem CID61304128
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
SMILESCC(CS(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H11FO3S/c1-7(10(12)13)6-15(14)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyRJHRDRXIRNTYQW-UHFFFAOYSA-N
XLogP1.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-3-(4-fluorophenyl)sulfinylpropanoic acid
CID 64583707
3-(3,4-dimethylphenyl)sulfinyl-2-methylpropanoic acid
CID 61302341
(2R)-1-chloro-3-[(R)-(4-fluorophenyl)sulfinyl]propan-2-ol
CID 139090415
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63792984
2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide
CID 63790699
3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol
CID 64900354
4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid
CID 64696083
3-[(3-fluorophenyl)methylsulfinyl]-2-methylpropanoic acid
CID 64916747
1-(4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 113318017
2-[(4-fluorophenyl)sulfinyl-propan-2-ylamino]acetic acid
CID 90165897
1-[(S)-2-methylpropylsulfinyl]-4-phenylbenzene
CID 139094070
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid?
The IUPAC name of 3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid (CID 61304128) is 3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid is CC(CS(=O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid?
The InChIKey is RJHRDRXIRNTYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-7(10(12)13)6-15(14)9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of 3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid?
3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid is sourced from PubChem (CID 61304128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).