3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine

C11H17F3N2S — CID 79475884

IUPAC3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
SMILESCC(Cc1cccs1)N(C)C(CN)C(F)(F)F
InChIInChI=1S/C11H17F3N2S/c1-8(6-9-4-3-5-17-9)16(2)10(7-15)11(12,13)14/h3-5,8,10H,6-7,15H2,1-2H3
InChIKeyAPKFUPCBGZMLTH-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.50
Rot. Bonds5

About 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine

3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine (PubChem CID 79475884) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
PubChem CID79475884
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
SMILESCC(Cc1cccs1)N(C)C(CN)C(F)(F)F
InChIInChI=1S/C11H17F3N2S/c1-8(6-9-4-3-5-17-9)16(2)10(7-15)11(12,13)14/h3-5,8,10H,6-7,15H2,1-2H3
InChIKeyAPKFUPCBGZMLTH-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine with MolForge

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Related Compounds

2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
4-methoxy-2-N,4-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 106675761
3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile
CID 103367963
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
N-methyl-1-(oxan-4-yl)-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79476272
N-methyl-1-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79475879
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472106
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 114867817
1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472208
1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79471927
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
The IUPAC name of 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine (CID 79475884) is 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
The canonical SMILES for 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine is CC(Cc1cccs1)N(C)C(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
The InChIKey is APKFUPCBGZMLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-8(6-9-4-3-5-17-9)16(2)10(7-15)11(12,13)14/h3-5,8,10H,6-7,15H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine?
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine has a molecular weight of 266.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 79475884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).