3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile

C12H15F3N2S — CID 103367963

IUPAC3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile
SMILESCC(Cc1cccs1)N(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C12H15F3N2S/c1-9(6-11-4-3-5-18-11)17(2)8-10(7-16)12(13,14)15/h3-5,9-10H,6,8H2,1-2H3
InChIKeyMEUUMQLEWGTJMH-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.31
Rot. Bonds5

About 3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile (PubChem CID 103367963) has the molecular formula C12H15F3N2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile
PubChem CID103367963
Molecular FormulaC12H15F3N2S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile
SMILESCC(Cc1cccs1)N(C)CC(C#N)C(F)(F)F
InChIInChI=1S/C12H15F3N2S/c1-9(6-11-4-3-5-18-11)17(2)8-10(7-16)12(13,14)15/h3-5,9-10H,6,8H2,1-2H3
InChIKeyMEUUMQLEWGTJMH-UHFFFAOYSA-N
XLogP3.31
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetyl]benzonitrile
CID 79488497
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
CID 79489421
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
[2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 79486657
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine
CID 79485910

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile (CID 103367963) is 3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile is CC(Cc1cccs1)N(C)CC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile?
The InChIKey is MEUUMQLEWGTJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2S/c1-9(6-11-4-3-5-18-11)17(2)8-10(7-16)12(13,14)15/h3-5,9-10H,6,8H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile has a molecular weight of 276.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).