2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile

C8H12F3N3 — CID 103371770

IUPAC2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCN(CC(C#N)C(F)(F)F)C1CNC1
InChIInChI=1S/C8H12F3N3/c1-14(7-3-13-4-7)5-6(2-12)8(9,10)11/h6-7,13H,3-5H2,1H3
InChIKeyYJLNGCKVOUUJJJ-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.59
Rot. Bonds3

About 2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103371770) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103371770
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCN(CC(C#N)C(F)(F)F)C1CNC1
InChIInChI=1S/C8H12F3N3/c1-14(7-3-13-4-7)5-6(2-12)8(9,10)11/h6-7,13H,3-5H2,1H3
InChIKeyYJLNGCKVOUUJJJ-UHFFFAOYSA-N
XLogP0.59
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103371770) is 2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile is CN(CC(C#N)C(F)(F)F)C1CNC1.
What is the InChIKey of 2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is YJLNGCKVOUUJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-14(7-3-13-4-7)5-6(2-12)8(9,10)11/h6-7,13H,3-5H2,1H3.
What are the key properties of 2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 207.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[azetidin-3-yl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103371770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).