3-(2,4-difluorophenyl)sulfanylpyrrolidine

C10H11F2NS — CID 62329643

IUPAC3-(2,4-difluorophenyl)sulfanylpyrrolidine
SMILESFc1ccc(SC2CCNC2)c(F)c1
InChIInChI=1S/C10H11F2NS/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyANYBRMASAXHZAG-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.42
Rot. Bonds2

About 3-(2,4-difluorophenyl)sulfanylpyrrolidine

3-(2,4-difluorophenyl)sulfanylpyrrolidine (PubChem CID 62329643) has the molecular formula C10H11F2NS and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanylpyrrolidine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanylpyrrolidine
PubChem CID62329643
Molecular FormulaC10H11F2NS
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name3-(2,4-difluorophenyl)sulfanylpyrrolidine
SMILESFc1ccc(SC2CCNC2)c(F)c1
InChIInChI=1S/C10H11F2NS/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyANYBRMASAXHZAG-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanylpyrrolidine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanylpyrrolidine (CID 62329643) is 3-(2,4-difluorophenyl)sulfanylpyrrolidine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanylpyrrolidine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanylpyrrolidine is Fc1ccc(SC2CCNC2)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanylpyrrolidine?
The InChIKey is ANYBRMASAXHZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NS/c11-7-1-2-10(9(12)5-7)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of 3-(2,4-difluorophenyl)sulfanylpyrrolidine?
3-(2,4-difluorophenyl)sulfanylpyrrolidine has a molecular weight of 215.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanylpyrrolidine is sourced from PubChem (CID 62329643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).