2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide

C9H15F3N2S — CID 65497649

IUPAC2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCN(CC(F)(F)F)CC1(CC(N)=S)CC1
InChIInChI=1S/C9H15F3N2S/c1-14(6-9(10,11)12)5-8(2-3-8)4-7(13)15/h2-6H2,1H3,(H2,13,15)
InChIKeyOZRKGROVIPGVJF-UHFFFAOYSA-N
MW240.29 g/mol
LogP1.94
Rot. Bonds5

About 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65497649) has the molecular formula C9H15F3N2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65497649
Molecular FormulaC9H15F3N2S
Molecular Weight240.29 g/mol
Exact Mass240.09
IUPAC Name2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCN(CC(F)(F)F)CC1(CC(N)=S)CC1
InChIInChI=1S/C9H15F3N2S/c1-14(6-9(10,11)12)5-8(2-3-8)4-7(13)15/h2-6H2,1H3,(H2,13,15)
InChIKeyOZRKGROVIPGVJF-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 51.94
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 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide (CID 65497649) is 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide is CN(CC(F)(F)F)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is OZRKGROVIPGVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2S/c1-14(6-9(10,11)12)5-8(2-3-8)4-7(13)15/h2-6H2,1H3,(H2,13,15).
What are the key properties of 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 240.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65497649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).