(2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid

C10H18F3NO3 — CID 67088459

IUPAC(2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid
SMILESCCC[C@@H]1CNC[C@H](C)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17NO.C2HF3O2/c1-3-4-8-6-9-5-7(2)10-8;3-2(4,5)1(6)7/h7-9H,3-6H2,1-2H3;(H,6,7)/t7-,8+;/m0./s1
InChIKeyAVEQRZOLGZPVRQ-KZYPOYLOSA-N
MW257.25 g/mol
LogP1.80
Rot. Bonds2

About (2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid

(2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid (PubChem CID 67088459) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid
PubChem CID67088459
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name(2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid
SMILESCCC[C@@H]1CNC[C@H](C)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17NO.C2HF3O2/c1-3-4-8-6-9-5-7(2)10-8;3-2(4,5)1(6)7/h7-9H,3-6H2,1-2H3;(H,6,7)/t7-,8+;/m0./s1
InChIKeyAVEQRZOLGZPVRQ-KZYPOYLOSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid (CID 67088459) is (2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid is CCC[C@@H]1CNC[C@H](C)O1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid?
The InChIKey is AVEQRZOLGZPVRQ-KZYPOYLOSA-N. The full InChI is InChI=1S/C8H17NO.C2HF3O2/c1-3-4-8-6-9-5-7(2)10-8;3-2(4,5)1(6)7/h7-9H,3-6H2,1-2H3;(H,6,7)/t7-,8+;/m0./s1.
What are the key properties of (2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid?
(2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid has a molecular weight of 257.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-6-propylmorpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67088459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).