(2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid

C10H11FO3S — CID 11817076

IUPAC(2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid
SMILESC[C@](O)(CSc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H11FO3S/c1-10(14,9(12)13)6-15-8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyCTYJERNWLVBMTF-JTQLQIEISA-N
MW230.26 g/mol
LogP1.75
Rot. Bonds4

About (2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid

(2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid (PubChem CID 11817076) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid
PubChem CID11817076
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name(2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid
SMILESC[C@](O)(CSc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H11FO3S/c1-10(14,9(12)13)6-15-8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H,12,13)/t10-/m0/s1
InChIKeyCTYJERNWLVBMTF-JTQLQIEISA-N
XLogP1.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid (CID 11817076) is (2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid is C[C@](O)(CSc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid?
The InChIKey is CTYJERNWLVBMTF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11FO3S/c1-10(14,9(12)13)6-15-8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid?
(2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 11817076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).