3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid

C9H17F3N2O3 — CID 68771782

IUPAC3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid
SMILESNCCCN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2O.C2HF3O2/c8-2-1-3-9-4-6-10-7-5-9;3-2(4,5)1(6)7/h1-8H2;(H,6,7)
InChIKeyGDLBBABSYDGCNE-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.30
Rot. Bonds3

About 3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid

3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 68771782) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID68771782
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid
SMILESNCCCN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2O.C2HF3O2/c8-2-1-3-9-4-6-10-7-5-9;3-2(4,5)1(6)7/h1-8H2;(H,6,7)
InChIKeyGDLBBABSYDGCNE-UHFFFAOYSA-N
XLogP0.30
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid (CID 68771782) is 3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid is NCCCN1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GDLBBABSYDGCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2HF3O2/c8-2-1-3-9-4-6-10-7-5-9;3-2(4,5)1(6)7/h1-8H2;(H,6,7).
What are the key properties of 3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid?
3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 258.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68771782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).