2-(3-fluorophenyl)sulfanylpyrrolidine

C10H12FNS — CID 105450799

IUPAC2-(3-fluorophenyl)sulfanylpyrrolidine
SMILESFc1cccc(SC2CCCN2)c1
InChIInChI=1S/C10H12FNS/c11-8-3-1-4-9(7-8)13-10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2
InChIKeyXFMPTXOFXGPJLL-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-fluorophenyl)sulfanylpyrrolidine

2-(3-fluorophenyl)sulfanylpyrrolidine (PubChem CID 105450799) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanylpyrrolidine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanylpyrrolidine
PubChem CID105450799
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name2-(3-fluorophenyl)sulfanylpyrrolidine
SMILESFc1cccc(SC2CCCN2)c1
InChIInChI=1S/C10H12FNS/c11-8-3-1-4-9(7-8)13-10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2
InChIKeyXFMPTXOFXGPJLL-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine
CID 117033017
3-[(3-fluorophenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 66069785
3-(3-fluorophenyl)sulfanyl-1-azabicyclo[2.2.2]octane
CID 67184804
(2S)-2-[2-(3-fluorophenyl)ethynyl]pyrrolidine
CID 90117566
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
3-fluoroaniline;pyrrolidin-2-ylmethanol
CID 69484506
(3-fluorophenyl) thiohypobromite
CID 173469120
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone
CID 66071426
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanylpyrrolidine?
The IUPAC name of 2-(3-fluorophenyl)sulfanylpyrrolidine (CID 105450799) is 2-(3-fluorophenyl)sulfanylpyrrolidine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanylpyrrolidine?
The canonical SMILES for 2-(3-fluorophenyl)sulfanylpyrrolidine is Fc1cccc(SC2CCCN2)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanylpyrrolidine?
The InChIKey is XFMPTXOFXGPJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c11-8-3-1-4-9(7-8)13-10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2.
What are the key properties of 2-(3-fluorophenyl)sulfanylpyrrolidine?
2-(3-fluorophenyl)sulfanylpyrrolidine has a molecular weight of 197.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanylpyrrolidine is sourced from PubChem (CID 105450799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).