(2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate

C10H16F3NO3 — CID 67088461

IUPAC(2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate
SMILESCCCC1CN(OC(=O)C(F)(F)F)CC(C)O1
InChIInChI=1S/C10H16F3NO3/c1-3-4-8-6-14(5-7(2)16-8)17-9(15)10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyOVKMWTIWJVZJPR-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.90
Rot. Bonds3

About (2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate

(2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate (PubChem CID 67088461) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is (2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate
PubChem CID67088461
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name(2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate
SMILESCCCC1CN(OC(=O)C(F)(F)F)CC(C)O1
InChIInChI=1S/C10H16F3NO3/c1-3-4-8-6-14(5-7(2)16-8)17-9(15)10(11,12)13/h7-8H,3-6H2,1-2H3
InChIKeyOVKMWTIWJVZJPR-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate (CID 67088461) is (2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate is CCCC1CN(OC(=O)C(F)(F)F)CC(C)O1.
What is the InChIKey of (2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate?
The InChIKey is OVKMWTIWJVZJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-3-4-8-6-14(5-7(2)16-8)17-9(15)10(11,12)13/h7-8H,3-6H2,1-2H3.
What are the key properties of (2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate?
(2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate has a molecular weight of 255.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-propylmorpholin-4-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 67088461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).