4-(difluoromethyl)piperidine-1-carbothioamide

C7H12F2N2S — CID 130700448

IUPAC4-(difluoromethyl)piperidine-1-carbothioamide
SMILESNC(=S)N1CCC(C(F)F)CC1
InChIInChI=1S/C7H12F2N2S/c8-6(9)5-1-3-11(4-2-5)7(10)12/h5-6H,1-4H2,(H2,10,12)
InChIKeyZQRTYIAFHIWCRX-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.21
Rot. Bonds1

About 4-(difluoromethyl)piperidine-1-carbothioamide

4-(difluoromethyl)piperidine-1-carbothioamide (PubChem CID 130700448) has the molecular formula C7H12F2N2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 4-(difluoromethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name4-(difluoromethyl)piperidine-1-carbothioamide
PubChem CID130700448
Molecular FormulaC7H12F2N2S
Molecular Weight194.25 g/mol
Exact Mass194.07
IUPAC Name4-(difluoromethyl)piperidine-1-carbothioamide
SMILESNC(=S)N1CCC(C(F)F)CC1
InChIInChI=1S/C7H12F2N2S/c8-6(9)5-1-3-11(4-2-5)7(10)12/h5-6H,1-4H2,(H2,10,12)
InChIKeyZQRTYIAFHIWCRX-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(difluoromethyl)piperidine-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-(difluoromethyl)piperidine-1-carbothioamide?
The IUPAC name of 4-(difluoromethyl)piperidine-1-carbothioamide (CID 130700448) is 4-(difluoromethyl)piperidine-1-carbothioamide.
What is the SMILES notation for 4-(difluoromethyl)piperidine-1-carbothioamide?
The canonical SMILES for 4-(difluoromethyl)piperidine-1-carbothioamide is NC(=S)N1CCC(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)piperidine-1-carbothioamide?
The InChIKey is ZQRTYIAFHIWCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2S/c8-6(9)5-1-3-11(4-2-5)7(10)12/h5-6H,1-4H2,(H2,10,12).
What are the key properties of 4-(difluoromethyl)piperidine-1-carbothioamide?
4-(difluoromethyl)piperidine-1-carbothioamide has a molecular weight of 194.25 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 130700448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).