2,2,2-trifluoroethyl 2-morpholin-4-ylacetate

C8H12F3NO3 — CID 59013008

IUPAC2,2,2-trifluoroethyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)6-15-7(13)5-12-1-3-14-4-2-12/h1-6H2
InChIKeyUNUZRJABOSNHJY-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.42
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-morpholin-4-ylacetate

2,2,2-trifluoroethyl 2-morpholin-4-ylacetate (PubChem CID 59013008) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-morpholin-4-ylacetate
PubChem CID59013008
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2,2,2-trifluoroethyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO3/c9-8(10,11)6-15-7(13)5-12-1-3-14-4-2-12/h1-6H2
InChIKeyUNUZRJABOSNHJY-UHFFFAOYSA-N
XLogP0.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl Morpholinoacetate
CID 1268178
2-(4-Methylmorpholin-4-ium-4-yl)acetate
CID 5249656
Ethyl 2-Morpholinoacetate
CID 2734105
N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-(Diethylamino)ethyl 2,2,2-trifluoroacetate
CID 59204074
4-(2-Hydroxyethyl)-4-methyl-2-oxomorpholinium trifluoroacetate
CID 163203754
4,4-Dimethylmorpholin-4-ium-2-one
CID 145673
N-methyl-2-morpholinone
CID 519559
N-ethylmorpholin-2-one
CID 12409454
Methyl (2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetate
CID 91694256
4-Methylmorpholine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 17843040
2-Morpholin-4-ylethyl 2,2,2-trifluoroacetate
CID 17857588

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-morpholin-4-ylacetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-morpholin-4-ylacetate (CID 59013008) is 2,2,2-trifluoroethyl 2-morpholin-4-ylacetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-morpholin-4-ylacetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-morpholin-4-ylacetate is O=C(CN1CCOCC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-morpholin-4-ylacetate?
The InChIKey is UNUZRJABOSNHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c9-8(10,11)6-15-7(13)5-12-1-3-14-4-2-12/h1-6H2.
What are the key properties of 2,2,2-trifluoroethyl 2-morpholin-4-ylacetate?
2,2,2-trifluoroethyl 2-morpholin-4-ylacetate has a molecular weight of 227.18 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-morpholin-4-ylacetate is sourced from PubChem (CID 59013008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).