4,4-difluoropiperidine-1-carbothioamide

C6H10F2N2S — CID 45118489

IUPAC4,4-difluoropiperidine-1-carbothioamide
SMILESNC(=S)N1CCC(F)(F)CC1
InChIInChI=1S/C6H10F2N2S/c7-6(8)1-3-10(4-2-6)5(9)11/h1-4H2,(H2,9,11)
InChIKeyBEOMFQDHLZOAFS-UHFFFAOYSA-N
MW180.22 g/mol
LogP0.96
Rot. Bonds

About 4,4-difluoropiperidine-1-carbothioamide

4,4-difluoropiperidine-1-carbothioamide (PubChem CID 45118489) has the molecular formula C6H10F2N2S and a molecular weight of 180.22 g/mol. Its IUPAC name is 4,4-difluoropiperidine-1-carbothioamide.

Molecular Properties

Compound Name4,4-difluoropiperidine-1-carbothioamide
PubChem CID45118489
Molecular FormulaC6H10F2N2S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name4,4-difluoropiperidine-1-carbothioamide
SMILESNC(=S)N1CCC(F)(F)CC1
InChIInChI=1S/C6H10F2N2S/c7-6(8)1-3-10(4-2-6)5(9)11/h1-4H2,(H2,9,11)
InChIKeyBEOMFQDHLZOAFS-UHFFFAOYSA-N
XLogP0.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-difluoropiperidine-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine-1-carbothioamide?
The IUPAC name of 4,4-difluoropiperidine-1-carbothioamide (CID 45118489) is 4,4-difluoropiperidine-1-carbothioamide.
What is the SMILES notation for 4,4-difluoropiperidine-1-carbothioamide?
The canonical SMILES for 4,4-difluoropiperidine-1-carbothioamide is NC(=S)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoropiperidine-1-carbothioamide?
The InChIKey is BEOMFQDHLZOAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2S/c7-6(8)1-3-10(4-2-6)5(9)11/h1-4H2,(H2,9,11).
What are the key properties of 4,4-difluoropiperidine-1-carbothioamide?
4,4-difluoropiperidine-1-carbothioamide has a molecular weight of 180.22 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine-1-carbothioamide is sourced from PubChem (CID 45118489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).