1-(2-fluoroethyl)pyrrolidine-3-thiol

C6H12FNS — CID 18792696

IUPAC1-(2-fluoroethyl)pyrrolidine-3-thiol
SMILESFCCN1CCC(S)C1
InChIInChI=1S/C6H12FNS/c7-2-4-8-3-1-6(9)5-8/h6,9H,1-5H2
InChIKeyQUEXATVJTVMNIN-UHFFFAOYSA-N
MW149.23 g/mol
LogP0.96
Rot. Bonds2

About 1-(2-fluoroethyl)pyrrolidine-3-thiol

1-(2-fluoroethyl)pyrrolidine-3-thiol (PubChem CID 18792696) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)pyrrolidine-3-thiol.

Molecular Properties

Compound Name1-(2-fluoroethyl)pyrrolidine-3-thiol
PubChem CID18792696
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name1-(2-fluoroethyl)pyrrolidine-3-thiol
SMILESFCCN1CCC(S)C1
InChIInChI=1S/C6H12FNS/c7-2-4-8-3-1-6(9)5-8/h6,9H,1-5H2
InChIKeyQUEXATVJTVMNIN-UHFFFAOYSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)pyrrolidine-3-thiol?
The IUPAC name of 1-(2-fluoroethyl)pyrrolidine-3-thiol (CID 18792696) is 1-(2-fluoroethyl)pyrrolidine-3-thiol.
What is the SMILES notation for 1-(2-fluoroethyl)pyrrolidine-3-thiol?
The canonical SMILES for 1-(2-fluoroethyl)pyrrolidine-3-thiol is FCCN1CCC(S)C1.
What is the InChIKey of 1-(2-fluoroethyl)pyrrolidine-3-thiol?
The InChIKey is QUEXATVJTVMNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c7-2-4-8-3-1-6(9)5-8/h6,9H,1-5H2.
What are the key properties of 1-(2-fluoroethyl)pyrrolidine-3-thiol?
1-(2-fluoroethyl)pyrrolidine-3-thiol has a molecular weight of 149.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)pyrrolidine-3-thiol is sourced from PubChem (CID 18792696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).