1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate

C9H14F3NO3 — CID 58855493

IUPAC1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate
SMILESCC(CN1CCOCC1)OC(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-7(16-8(14)9(10,11)12)6-13-2-4-15-5-3-13/h7H,2-6H2,1H3
InChIKeyCGGIXRRSXIKIOT-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.81
Rot. Bonds3

About 1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate

1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate (PubChem CID 58855493) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate
PubChem CID58855493
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate
SMILESCC(CN1CCOCC1)OC(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-7(16-8(14)9(10,11)12)6-13-2-4-15-5-3-13/h7H,2-6H2,1H3
InChIKeyCGGIXRRSXIKIOT-UHFFFAOYSA-N
XLogP0.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate (CID 58855493) is 1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate is CC(CN1CCOCC1)OC(=O)C(F)(F)F.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate?
The InChIKey is CGGIXRRSXIKIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-7(16-8(14)9(10,11)12)6-13-2-4-15-5-3-13/h7H,2-6H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate?
1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate has a molecular weight of 241.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 58855493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).