4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol

C10H12FNOS — CID 63701610

IUPAC4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol
SMILESOC1CNCC1Sc1ccccc1F
InChIInChI=1S/C10H12FNOS/c11-7-3-1-2-4-9(7)14-10-6-12-5-8(10)13/h1-4,8,10,12-13H,5-6H2
InChIKeyFTZKLUQTSMRXSB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.25
Rot. Bonds2

About 4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol

4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol (PubChem CID 63701610) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol
PubChem CID63701610
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol
SMILESOC1CNCC1Sc1ccccc1F
InChIInChI=1S/C10H12FNOS/c11-7-3-1-2-4-9(7)14-10-6-12-5-8(10)13/h1-4,8,10,12-13H,5-6H2
InChIKeyFTZKLUQTSMRXSB-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol?
The IUPAC name of 4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol (CID 63701610) is 4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol.
What is the SMILES notation for 4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol?
The canonical SMILES for 4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol is OC1CNCC1Sc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol?
The InChIKey is FTZKLUQTSMRXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c11-7-3-1-2-4-9(7)14-10-6-12-5-8(10)13/h1-4,8,10,12-13H,5-6H2.
What are the key properties of 4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol?
4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol has a molecular weight of 213.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfanylpyrrolidin-3-ol is sourced from PubChem (CID 63701610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).