morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid

C7H12F3NO4 — CID 66662889

IUPACmorpholin-2-ylmethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1CNCCO1
InChIInChI=1S/C5H11NO2.C2HF3O2/c7-4-5-3-6-1-2-8-5;3-2(4,5)1(6)7/h5-7H,1-4H2;(H,6,7)
InChIKeyYKQHZQIQGWBVPR-UHFFFAOYSA-N
MW231.17 g/mol
LogP-0.40
Rot. Bonds1

About morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid

morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid (PubChem CID 66662889) has the molecular formula C7H12F3NO4 and a molecular weight of 231.17 g/mol. Its IUPAC name is morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemorpholin-2-ylmethanol;2,2,2-trifluoroacetic acid
PubChem CID66662889
Molecular FormulaC7H12F3NO4
Molecular Weight231.17 g/mol
Exact Mass231.07
IUPAC Namemorpholin-2-ylmethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1CNCCO1
InChIInChI=1S/C5H11NO2.C2HF3O2/c7-4-5-3-6-1-2-8-5;3-2(4,5)1(6)7/h5-7H,1-4H2;(H,6,7)
InChIKeyYKQHZQIQGWBVPR-UHFFFAOYSA-N
XLogP-0.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid (CID 66662889) is morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCC1CNCCO1.
What is the InChIKey of morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid?
The InChIKey is YKQHZQIQGWBVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C2HF3O2/c7-4-5-3-6-1-2-8-5;3-2(4,5)1(6)7/h5-7H,1-4H2;(H,6,7).
What are the key properties of morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid?
morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid has a molecular weight of 231.17 g/mol, XLogP of -0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-ylmethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66662889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).