4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 126573433

IUPAC4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
SMILESC1CN(CC2CNC2)CCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-3-11-4-2-10(1)7-8-5-9-6-8;3-2(4,5)1(6)7/h8-9H,1-7H2;(H,6,7)
InChIKeyRMOHYPVCYZBSGP-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.17
Rot. Bonds2

About 4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid

4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid (PubChem CID 126573433) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
PubChem CID126573433
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
SMILESC1CN(CC2CNC2)CCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-3-11-4-2-10(1)7-8-5-9-6-8;3-2(4,5)1(6)7/h8-9H,1-7H2;(H,6,7)
InChIKeyRMOHYPVCYZBSGP-UHFFFAOYSA-N
XLogP0.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid (CID 126573433) is 4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid is C1CN(CC2CNC2)CCO1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is RMOHYPVCYZBSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c1-3-11-4-2-10(1)7-8-5-9-6-8;3-2(4,5)1(6)7/h8-9H,1-7H2;(H,6,7).
What are the key properties of 4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethyl)morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126573433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).