3-(4-fluorophenyl)sulfanylpyrrolidine

C10H12FNS — CID 62328283

IUPAC3-(4-fluorophenyl)sulfanylpyrrolidine
SMILESFc1ccc(SC2CCNC2)cc1
InChIInChI=1S/C10H12FNS/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2
InChIKeyZDMRCFVGYKMWGE-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.28
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanylpyrrolidine

3-(4-fluorophenyl)sulfanylpyrrolidine (PubChem CID 62328283) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanylpyrrolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanylpyrrolidine
PubChem CID62328283
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name3-(4-fluorophenyl)sulfanylpyrrolidine
SMILESFc1ccc(SC2CCNC2)cc1
InChIInChI=1S/C10H12FNS/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2
InChIKeyZDMRCFVGYKMWGE-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanylpyrrolidine?
The IUPAC name of 3-(4-fluorophenyl)sulfanylpyrrolidine (CID 62328283) is 3-(4-fluorophenyl)sulfanylpyrrolidine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanylpyrrolidine?
The canonical SMILES for 3-(4-fluorophenyl)sulfanylpyrrolidine is Fc1ccc(SC2CCNC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanylpyrrolidine?
The InChIKey is ZDMRCFVGYKMWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2.
What are the key properties of 3-(4-fluorophenyl)sulfanylpyrrolidine?
3-(4-fluorophenyl)sulfanylpyrrolidine has a molecular weight of 197.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanylpyrrolidine is sourced from PubChem (CID 62328283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).