2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone

C12H14FNOS — CID 2200156

IUPAC2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H14FNOS/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKeyBIJBEBGCDIVTHC-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone

2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 2200156) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID2200156
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C12H14FNOS/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKeyBIJBEBGCDIVTHC-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 2200156) is 2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone is O=C(CSc1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is BIJBEBGCDIVTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 239.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 2200156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).