3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile

C6H8F3N3 — CID 79307647

IUPAC3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CNC1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)4-12-5(1-10)2-11-3-5/h11-12H,2-4H2
InChIKeyNHLFPAXIUKXPCC-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.00
Rot. Bonds2

About 3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile

3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile (PubChem CID 79307647) has the molecular formula C6H8F3N3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile
PubChem CID79307647
Molecular FormulaC6H8F3N3
Molecular Weight179.14 g/mol
Exact Mass179.07
IUPAC Name3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CNC1
InChIInChI=1S/C6H8F3N3/c7-6(8,9)4-12-5(1-10)2-11-3-5/h11-12H,2-4H2
InChIKeyNHLFPAXIUKXPCC-UHFFFAOYSA-N
XLogP0.00
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile (CID 79307647) is 3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile is N#CC1(NCC(F)(F)F)CNC1.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile?
The InChIKey is NHLFPAXIUKXPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c7-6(8,9)4-12-5(1-10)2-11-3-5/h11-12H,2-4H2.
What are the key properties of 3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile?
3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile has a molecular weight of 179.14 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)azetidine-3-carbonitrile is sourced from PubChem (CID 79307647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).