2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine

C12H16FNS — CID 84690030

IUPAC2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine
SMILESFc1ccccc1SCCC1CCCN1
InChIInChI=1S/C12H16FNS/c13-11-5-1-2-6-12(11)15-9-7-10-4-3-8-14-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyZAYMHLYMNZVNFN-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.06
Rot. Bonds4

About 2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine

2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine (PubChem CID 84690030) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine
PubChem CID84690030
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine
SMILESFc1ccccc1SCCC1CCCN1
InChIInChI=1S/C12H16FNS/c13-11-5-1-2-6-12(11)15-9-7-10-4-3-8-14-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyZAYMHLYMNZVNFN-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688727
(4aS,7aS)-6-[2-(2-fluorophenyl)sulfanylethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682732
2-(2-phenylsulfanylethyl)azepane
CID 79223210
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584
4-fluoro-2-(2-piperidin-2-ylethylsulfanyl)aniline
CID 79143656
2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
CID 117324200
3-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688729
(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine
CID 97301377
4-bromo-2-(2-piperidin-2-ylethylsulfanyl)aniline
CID 79533405
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178
1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466414
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine?
The IUPAC name of 2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine (CID 84690030) is 2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine?
The canonical SMILES for 2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine is Fc1ccccc1SCCC1CCCN1.
What is the InChIKey of 2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine?
The InChIKey is ZAYMHLYMNZVNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c13-11-5-1-2-6-12(11)15-9-7-10-4-3-8-14-10/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of 2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine?
2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine has a molecular weight of 225.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidine is sourced from PubChem (CID 84690030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).