(5R)-5-(fluoromethyl)piperidine-3-thiol

C6H12FNS — CID 167133080

IUPAC(5R)-5-(fluoromethyl)piperidine-3-thiol
SMILESFC[C@H]1CNCC(S)C1
InChIInChI=1S/C6H12FNS/c7-2-5-1-6(9)4-8-3-5/h5-6,8-9H,1-4H2/t5-,6?/m0/s1
InChIKeyCIONDWMTHOBLJG-ZBHICJROSA-N
MW149.23 g/mol
LogP0.86
Rot. Bonds1

About (5R)-5-(fluoromethyl)piperidine-3-thiol

(5R)-5-(fluoromethyl)piperidine-3-thiol (PubChem CID 167133080) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is (5R)-5-(fluoromethyl)piperidine-3-thiol.

Molecular Properties

Compound Name(5R)-5-(fluoromethyl)piperidine-3-thiol
PubChem CID167133080
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name(5R)-5-(fluoromethyl)piperidine-3-thiol
SMILESFC[C@H]1CNCC(S)C1
InChIInChI=1S/C6H12FNS/c7-2-5-1-6(9)4-8-3-5/h5-6,8-9H,1-4H2/t5-,6?/m0/s1
InChIKeyCIONDWMTHOBLJG-ZBHICJROSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
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 (5R)-5-(fluoromethyl)piperidine-3-thiol?
The IUPAC name of (5R)-5-(fluoromethyl)piperidine-3-thiol (CID 167133080) is (5R)-5-(fluoromethyl)piperidine-3-thiol.
What is the SMILES notation for (5R)-5-(fluoromethyl)piperidine-3-thiol?
The canonical SMILES for (5R)-5-(fluoromethyl)piperidine-3-thiol is FC[C@H]1CNCC(S)C1.
What is the InChIKey of (5R)-5-(fluoromethyl)piperidine-3-thiol?
The InChIKey is CIONDWMTHOBLJG-ZBHICJROSA-N. The full InChI is InChI=1S/C6H12FNS/c7-2-5-1-6(9)4-8-3-5/h5-6,8-9H,1-4H2/t5-,6?/m0/s1.
What are the key properties of (5R)-5-(fluoromethyl)piperidine-3-thiol?
(5R)-5-(fluoromethyl)piperidine-3-thiol has a molecular weight of 149.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(fluoromethyl)piperidine-3-thiol is sourced from PubChem (CID 167133080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).