1-(2-fluoroethyl)piperidine-4-carbothioamide

C8H15FN2S — CID 80695856

IUPAC1-(2-fluoroethyl)piperidine-4-carbothioamide
SMILESNC(=S)C1CCN(CCF)CC1
InChIInChI=1S/C8H15FN2S/c9-3-6-11-4-1-7(2-5-11)8(10)12/h7H,1-6H2,(H2,10,12)
InChIKeyRZJYNUCOUCSORD-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.95
Rot. Bonds3

About 1-(2-fluoroethyl)piperidine-4-carbothioamide

1-(2-fluoroethyl)piperidine-4-carbothioamide (PubChem CID 80695856) has the molecular formula C8H15FN2S and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)piperidine-4-carbothioamide
PubChem CID80695856
Molecular FormulaC8H15FN2S
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name1-(2-fluoroethyl)piperidine-4-carbothioamide
SMILESNC(=S)C1CCN(CCF)CC1
InChIInChI=1S/C8H15FN2S/c9-3-6-11-4-1-7(2-5-11)8(10)12/h7H,1-6H2,(H2,10,12)
InChIKeyRZJYNUCOUCSORD-UHFFFAOYSA-N
XLogP0.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)piperidine-4-carbothioamide?
The IUPAC name of 1-(2-fluoroethyl)piperidine-4-carbothioamide (CID 80695856) is 1-(2-fluoroethyl)piperidine-4-carbothioamide.
What is the SMILES notation for 1-(2-fluoroethyl)piperidine-4-carbothioamide?
The canonical SMILES for 1-(2-fluoroethyl)piperidine-4-carbothioamide is NC(=S)C1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)piperidine-4-carbothioamide?
The InChIKey is RZJYNUCOUCSORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2S/c9-3-6-11-4-1-7(2-5-11)8(10)12/h7H,1-6H2,(H2,10,12).
What are the key properties of 1-(2-fluoroethyl)piperidine-4-carbothioamide?
1-(2-fluoroethyl)piperidine-4-carbothioamide has a molecular weight of 190.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)piperidine-4-carbothioamide is sourced from PubChem (CID 80695856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).