4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid

C10H11FO3S — CID 22141964

IUPAC4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CSc1ccc(F)cc1
InChIInChI=1S/C10H11FO3S/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeyDTPBDYTVLTYRQM-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.75
Rot. Bonds5

About 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid

4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid (PubChem CID 22141964) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid
PubChem CID22141964
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CSc1ccc(F)cc1
InChIInChI=1S/C10H11FO3S/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeyDTPBDYTVLTYRQM-UHFFFAOYSA-N
XLogP1.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid (CID 22141964) is 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid is O=C(O)CC(O)CSc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid?
The InChIKey is DTPBDYTVLTYRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c11-7-1-3-9(4-2-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14).
What are the key properties of 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid?
4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-3-hydroxybutanoic acid is sourced from PubChem (CID 22141964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).