[(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid

C7H12F3NO4 — CID 66662997

IUPAC[(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC[C@H]1CNCCO1
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)/t5-;/m1./s1
InChIKeyYKQHZQIQGWBVPR-NUBCRITNSA-N
MW231.17 g/mol
LogP-0.40
Rot. Bonds1

About [(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid

[(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 66662997) has the molecular formula C7H12F3NO4 and a molecular weight of 231.17 g/mol. Its IUPAC name is [(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid
PubChem CID66662997
Molecular FormulaC7H12F3NO4
Molecular Weight231.17 g/mol
Exact Mass231.07
IUPAC Name[(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC[C@H]1CNCCO1
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)/t5-;/m1./s1
InChIKeyYKQHZQIQGWBVPR-NUBCRITNSA-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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Related Compounds

(6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 137944418
Morpholin-2-ylmethyl trifluoroacetate
CID 11206644
2-Morpholinemethanol 2,2,2-trifluoroacetate salt
CID 66662889
[(2R)-morpholin-2-yl]methyl 2,2,2-trifluoroacetate
CID 66662998
2-Methylmorpholine trifluoroacetate
CID 68841730
Morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
CID 86211438
Morpholine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 132087057
[(2S)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid
CID 133634266
((2S,6S)-6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 139343396
((2R,6S)-6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 139343502
((2R,6R)-6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 139343904
((2S,6R)-6-(Trifluoromethyl)morpholin-2-yl)methanol
CID 139343988

Frequently Asked Questions

What is the IUPAC name of [(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid (CID 66662997) is [(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC[C@H]1CNCCO1.
What is the InChIKey of [(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is YKQHZQIQGWBVPR-NUBCRITNSA-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)/t5-;/m1./s1.
What are the key properties of [(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid?
[(2R)-morpholin-2-yl]methanol;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 [(2R)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66662997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).