2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile

C7H10F3N3 — CID 103371759

IUPAC2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CN1CC(N)C1)C(F)(F)F
InChIInChI=1S/C7H10F3N3/c8-7(9,10)5(1-11)2-13-3-6(12)4-13/h5-6H,2-4,12H2
InChIKeyQMQLYTKDBXPEPZ-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.33
Rot. Bonds2

About 2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile

2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103371759) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103371759
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CN1CC(N)C1)C(F)(F)F
InChIInChI=1S/C7H10F3N3/c8-7(9,10)5(1-11)2-13-3-6(12)4-13/h5-6H,2-4,12H2
InChIKeyQMQLYTKDBXPEPZ-UHFFFAOYSA-N
XLogP0.33
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile (CID 103371759) is 2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile is N#CC(CN1CC(N)C1)C(F)(F)F.
What is the InChIKey of 2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is QMQLYTKDBXPEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)5(1-11)2-13-3-6(12)4-13/h5-6H,2-4,12H2.
What are the key properties of 2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 193.17 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoazetidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103371759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).