2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide

C11H14F2N2S — CID 116789418

IUPAC2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide
SMILESCN(CC(N)=S)CC(F)(F)c1ccccc1
InChIInChI=1S/C11H14F2N2S/c1-15(7-10(14)16)8-11(12,13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,14,16)
InChIKeyDURGGYVINDNGEY-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.00
Rot. Bonds5

About 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide

2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide (PubChem CID 116789418) has the molecular formula C11H14F2N2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide.

Molecular Properties

Compound Name2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide
PubChem CID116789418
Molecular FormulaC11H14F2N2S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide
SMILESCN(CC(N)=S)CC(F)(F)c1ccccc1
InChIInChI=1S/C11H14F2N2S/c1-15(7-10(14)16)8-11(12,13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,14,16)
InChIKeyDURGGYVINDNGEY-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2,2-difluoro-2-phenylethyl)-ethylamino]ethanethioamide
CID 116789419
1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 116790104
4-[(2,2-difluoro-2-phenylethyl)-methylamino]benzenecarboximidamide
CID 116789572
2-[methyl(3-phenoxypropyl)amino]ethanethioamide
CID 62936274
1-chloro-N-(2,2-difluoro-2-phenylethyl)-N,2-dimethylpropan-2-amine
CID 116790609
3-[methyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanethioamide
CID 64537730
1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine
CID 116790603
2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile
CID 116789388
2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
CID 116693883
3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 116789548
3-[(2,2-difluoro-2-phenylethyl)-ethylamino]propan-1-ol
CID 116790403
(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
CID 106702814

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide?
The IUPAC name of 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide (CID 116789418) is 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide.
What is the SMILES notation for 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide?
The canonical SMILES for 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide is CN(CC(N)=S)CC(F)(F)c1ccccc1.
What is the InChIKey of 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide?
The InChIKey is DURGGYVINDNGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2S/c1-15(7-10(14)16)8-11(12,13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,14,16).
What are the key properties of 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide?
2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide has a molecular weight of 244.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide is sourced from PubChem (CID 116789418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).