1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea

C8H11F3N2S — CID 106217399

IUPAC1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea
SMILESFC(F)(F)C1(NC(=S)NC2CC2)CC1
InChIInChI=1S/C8H11F3N2S/c9-8(10,11)7(3-4-7)13-6(14)12-5-1-2-5/h5H,1-4H2,(H2,12,13,14)
InChIKeyJZUHFTURIGKDGN-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.71
Rot. Bonds2

About 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea

1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea (PubChem CID 106217399) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea
PubChem CID106217399
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea
SMILESFC(F)(F)C1(NC(=S)NC2CC2)CC1
InChIInChI=1S/C8H11F3N2S/c9-8(10,11)7(3-4-7)13-6(14)12-5-1-2-5/h5H,1-4H2,(H2,12,13,14)
InChIKeyJZUHFTURIGKDGN-UHFFFAOYSA-N
XLogP1.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea 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 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea (CID 106217399) is 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea is FC(F)(F)C1(NC(=S)NC2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea?
The InChIKey is JZUHFTURIGKDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c9-8(10,11)7(3-4-7)13-6(14)12-5-1-2-5/h5H,1-4H2,(H2,12,13,14).
What are the key properties of 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea?
1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea has a molecular weight of 224.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]thiourea is sourced from PubChem (CID 106217399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).