1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one

C10H13F3N2OS — CID 103509432

IUPAC1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)CC(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2OS/c1-3-7(16)9-6(14)4-8(17-9)15(2)5-10(11,12)13/h4H,3,5,14H2,1-2H3
InChIKeyCFABPPLXCFTEQZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.92
Rot. Bonds4

About 1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one

1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one (PubChem CID 103509432) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one
PubChem CID103509432
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N(C)CC(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2OS/c1-3-7(16)9-6(14)4-8(17-9)15(2)5-10(11,12)13/h4H,3,5,14H2,1-2H3
InChIKeyCFABPPLXCFTEQZ-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-Trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
CID 59284276
1-[3-Amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]ethanone
CID 103417611
1-[3-Amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]propan-1-one
CID 103417626
1-[3-Amino-5-[(2,5-difluorophenyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 103417629
1-[3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone
CID 103418139
3-amino-5-[(4-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 103418140
3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418148
1-[3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]propan-1-one
CID 103418154
1-[3-Amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 103418157
1-[3-Amino-5-[(3-fluorophenyl)methyl-methylamino]thiophen-2-yl]ethanone
CID 103420722
3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 103420723
3-Amino-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420731

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one (CID 103509432) is 1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one is CCC(=O)c1sc(N(C)CC(F)(F)F)cc1N.
What is the InChIKey of 1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one?
The InChIKey is CFABPPLXCFTEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-3-7(16)9-6(14)4-8(17-9)15(2)5-10(11,12)13/h4H,3,5,14H2,1-2H3.
What are the key properties of 1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one?
1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one has a molecular weight of 266.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103509432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).