3-(3-fluorobutylsulfanyl)pyrrolidine

C8H16FNS — CID 84656245

IUPAC3-(3-fluorobutylsulfanyl)pyrrolidine
SMILESCC(F)CCSC1CCNC1
InChIInChI=1S/C8H16FNS/c1-7(9)3-5-11-8-2-4-10-6-8/h7-8,10H,2-6H2,1H3
InChIKeyOYUTZCSVFZWJTF-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.83
Rot. Bonds4

About 3-(3-fluorobutylsulfanyl)pyrrolidine

3-(3-fluorobutylsulfanyl)pyrrolidine (PubChem CID 84656245) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-(3-fluorobutylsulfanyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-fluorobutylsulfanyl)pyrrolidine
PubChem CID84656245
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-(3-fluorobutylsulfanyl)pyrrolidine
SMILESCC(F)CCSC1CCNC1
InChIInChI=1S/C8H16FNS/c1-7(9)3-5-11-8-2-4-10-6-8/h7-8,10H,2-6H2,1H3
InChIKeyOYUTZCSVFZWJTF-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propylthiazolidine
CID 146885
2-Pentyl-1,3-thiazolidine
CID 218690
2-Ethylthiazolidine
CID 146884
2-Ethyl-5-methyl-1,3-thiazolidine
CID 3067679
5,5-Dimethyl-2-isopropylthiazolidine
CID 15751859
3-(Methylsulfanyl)pyrrolidine
CID 17805728
3-(Tert-butylsulfanyl)pyrrolidine
CID 67293940
3-(Trifluoromethylthio)pyrrolidine
CID 75406387
2-(1,1,2,2,3-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154973
(3R)-3-(trifluoromethylsulfanyl)pyrrolidine
CID 95567638
(3S)-3-(trifluoromethylsulfanyl)pyrrolidine
CID 95567639
(2S)-3-fluoro-2-methylsulfanylpyrrolidine
CID 169838408

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorobutylsulfanyl)pyrrolidine?
The IUPAC name of 3-(3-fluorobutylsulfanyl)pyrrolidine (CID 84656245) is 3-(3-fluorobutylsulfanyl)pyrrolidine.
What is the SMILES notation for 3-(3-fluorobutylsulfanyl)pyrrolidine?
The canonical SMILES for 3-(3-fluorobutylsulfanyl)pyrrolidine is CC(F)CCSC1CCNC1.
What is the InChIKey of 3-(3-fluorobutylsulfanyl)pyrrolidine?
The InChIKey is OYUTZCSVFZWJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-7(9)3-5-11-8-2-4-10-6-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-(3-fluorobutylsulfanyl)pyrrolidine?
3-(3-fluorobutylsulfanyl)pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorobutylsulfanyl)pyrrolidine is sourced from PubChem (CID 84656245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).