[(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid

C8H14F3NO4 — CID 146272591

IUPAC[(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CNC[C@H](CO)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO2.C2HF3O2/c1-5-2-7-3-6(4-8)9-5;3-2(4,5)1(6)7/h5-8H,2-4H2,1H3;(H,6,7)/t5-,6-;/m1./s1
InChIKeyOOUWXQFVAFCWFU-KGZKBUQUSA-N
MW245.20 g/mol
LogP-0.01
Rot. Bonds1

About [(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid

[(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 146272591) has the molecular formula C8H14F3NO4 and a molecular weight of 245.20 g/mol. Its IUPAC name is [(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid
PubChem CID146272591
Molecular FormulaC8H14F3NO4
Molecular Weight245.20 g/mol
Exact Mass245.09
IUPAC Name[(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CNC[C@H](CO)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13NO2.C2HF3O2/c1-5-2-7-3-6(4-8)9-5;3-2(4,5)1(6)7/h5-8H,2-4H2,1H3;(H,6,7)/t5-,6-;/m1./s1
InChIKeyOOUWXQFVAFCWFU-KGZKBUQUSA-N
XLogP-0.01
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid (CID 146272591) is [(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid is C[C@@H]1CNC[C@H](CO)O1.O=C(O)C(F)(F)F.
What is the InChIKey of [(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is OOUWXQFVAFCWFU-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H13NO2.C2HF3O2/c1-5-2-7-3-6(4-8)9-5;3-2(4,5)1(6)7/h5-8H,2-4H2,1H3;(H,6,7)/t5-,6-;/m1./s1.
What are the key properties of [(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid?
[(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid has a molecular weight of 245.20 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146272591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).