3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile

C10H15F3N2O — CID 103367599

IUPAC3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile
SMILESCC(NCC(C#N)C(F)(F)F)C1CCOC1
InChIInChI=1S/C10H15F3N2O/c1-7(8-2-3-16-6-8)15-5-9(4-14)10(11,12)13/h7-9,15H,2-3,5-6H2,1H3
InChIKeySYQJVJWUBBMKAE-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.70
Rot. Bonds4

About 3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile

3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile (PubChem CID 103367599) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile
PubChem CID103367599
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile
SMILESCC(NCC(C#N)C(F)(F)F)C1CCOC1
InChIInChI=1S/C10H15F3N2O/c1-7(8-2-3-16-6-8)15-5-9(4-14)10(11,12)13/h7-9,15H,2-3,5-6H2,1H3
InChIKeySYQJVJWUBBMKAE-UHFFFAOYSA-N
XLogP1.70
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile (CID 103367599) is 3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile is CC(NCC(C#N)C(F)(F)F)C1CCOC1.
What is the InChIKey of 3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile?
The InChIKey is SYQJVJWUBBMKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-7(8-2-3-16-6-8)15-5-9(4-14)10(11,12)13/h7-9,15H,2-3,5-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile has a molecular weight of 236.24 g/mol, XLogP of 1.70, 4 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-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile is sourced from PubChem (CID 103367599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).