3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile

C10H15F3N2O — CID 103367609

IUPAC3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile
SMILESC=C(C)COCCNCC(C#N)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-8(2)7-16-4-3-15-6-9(5-14)10(11,12)13/h9,15H,1,3-4,6-7H2,2H3
InChIKeyWBFSJEQJOKVPPV-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.87
Rot. Bonds7

About 3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile

3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile (PubChem CID 103367609) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile
PubChem CID103367609
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile
SMILESC=C(C)COCCNCC(C#N)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-8(2)7-16-4-3-15-6-9(5-14)10(11,12)13/h9,15H,1,3-4,6-7H2,2H3
InChIKeyWBFSJEQJOKVPPV-UHFFFAOYSA-N
XLogP1.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114467137
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467227
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114467234
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467454
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467497
2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 114467715
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
4-[2-(2-Methylprop-2-enoxy)ethylamino]butanenitrile
CID 114467175
2-Methyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propanenitrile
CID 114467186
3-[2-(2-Methylprop-2-enoxy)ethylamino]propanenitrile
CID 114467479
2-[2-(2-Methylprop-2-enoxy)ethylamino]acetonitrile
CID 114467705

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile (CID 103367609) is 3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile is C=C(C)COCCNCC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile?
The InChIKey is WBFSJEQJOKVPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-8(2)7-16-4-3-15-6-9(5-14)10(11,12)13/h9,15H,1,3-4,6-7H2,2H3.
What are the key properties of 3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile has a molecular weight of 236.24 g/mol, XLogP of 1.87, 7 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-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]propanenitrile is sourced from PubChem (CID 103367609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).