(3R)-1-(disulfanyl)-3-fluoropyrrolidine

C4H8FNS2 — CID 129168111

IUPAC(3R)-1-(disulfanyl)-3-fluoropyrrolidine
SMILESF[C@@H]1CCN(SS)C1
InChIInChI=1S/C4H8FNS2/c5-4-1-2-6(3-4)8-7/h4,7H,1-3H2/t4-/m1/s1
InChIKeyMPCUNPOFMNHLSW-SCSAIBSYSA-N
MW153.25 g/mol
LogP1.52
Rot. Bonds1

About (3R)-1-(disulfanyl)-3-fluoropyrrolidine

(3R)-1-(disulfanyl)-3-fluoropyrrolidine (PubChem CID 129168111) has the molecular formula C4H8FNS2 and a molecular weight of 153.25 g/mol. Its IUPAC name is (3R)-1-(disulfanyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-(disulfanyl)-3-fluoropyrrolidine
PubChem CID129168111
Molecular FormulaC4H8FNS2
Molecular Weight153.25 g/mol
Exact Mass153.01
IUPAC Name(3R)-1-(disulfanyl)-3-fluoropyrrolidine
SMILESF[C@@H]1CCN(SS)C1
InChIInChI=1S/C4H8FNS2/c5-4-1-2-6(3-4)8-7/h4,7H,1-3H2/t4-/m1/s1
InChIKeyMPCUNPOFMNHLSW-SCSAIBSYSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(disulfanyl)-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-(disulfanyl)-3-fluoropyrrolidine (CID 129168111) is (3R)-1-(disulfanyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-(disulfanyl)-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-(disulfanyl)-3-fluoropyrrolidine is F[C@@H]1CCN(SS)C1.
What is the InChIKey of (3R)-1-(disulfanyl)-3-fluoropyrrolidine?
The InChIKey is MPCUNPOFMNHLSW-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8FNS2/c5-4-1-2-6(3-4)8-7/h4,7H,1-3H2/t4-/m1/s1.
What are the key properties of (3R)-1-(disulfanyl)-3-fluoropyrrolidine?
(3R)-1-(disulfanyl)-3-fluoropyrrolidine has a molecular weight of 153.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(disulfanyl)-3-fluoropyrrolidine is sourced from PubChem (CID 129168111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).