morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C7H10F3NO5 — CID 172744809

IUPACmorpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1COCCN1
InChIInChI=1S/C5H9NO3.C2HF3O2/c7-5(8)4-3-9-2-1-6-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H,7,8);(H,6,7)
InChIKeyJORUEZPPMLDPQU-UHFFFAOYSA-N
MW245.15 g/mol
LogP-0.31
Rot. Bonds1

About morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid

morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 172744809) has the molecular formula C7H10F3NO5 and a molecular weight of 245.15 g/mol. Its IUPAC name is morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemorpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID172744809
Molecular FormulaC7H10F3NO5
Molecular Weight245.15 g/mol
Exact Mass245.05
IUPAC Namemorpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1COCCN1
InChIInChI=1S/C5H9NO3.C2HF3O2/c7-5(8)4-3-9-2-1-6-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H,7,8);(H,6,7)
InChIKeyJORUEZPPMLDPQU-UHFFFAOYSA-N
XLogP-0.31
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 172744809) is morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)C1COCCN1.
What is the InChIKey of morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is JORUEZPPMLDPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C2HF3O2/c7-5(8)4-3-9-2-1-6-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H,7,8);(H,6,7).
What are the key properties of morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 245.15 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172744809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).