[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate

C6H9F3N2O2 — CID 68585277

IUPAC[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESCNC1CN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O2/c1-10-4-2-11(3-4)13-5(12)6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyZJDPJVYCCHHIQG-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.09
Rot. Bonds2

About [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate

[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 68585277) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID68585277
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESCNC1CN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O2/c1-10-4-2-11(3-4)13-5(12)6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyZJDPJVYCCHHIQG-UHFFFAOYSA-N
XLogP-0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate (CID 68585277) is [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate is CNC1CN(OC(=O)C(F)(F)F)C1.
What is the InChIKey of [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is ZJDPJVYCCHHIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c1-10-4-2-11(3-4)13-5(12)6(7,8)9/h4,10H,2-3H2,1H3.
What are the key properties of [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate?
[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 198.14 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68585277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).