2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid

C8H13F3N2O4 — CID 68772351

IUPAC2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O2.C2HF3O2/c7-6(9)5-8-1-3-10-4-2-8;3-2(4,5)1(6)7/h1-5H2,(H2,7,9);(H,6,7)
InChIKeySEPQBUVBDFPHSL-UHFFFAOYSA-N
MW258.20 g/mol
LogP-0.56
Rot. Bonds2

About 2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid

2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 68772351) has the molecular formula C8H13F3N2O4 and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID68772351
Molecular FormulaC8H13F3N2O4
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CN1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O2.C2HF3O2/c7-6(9)5-8-1-3-10-4-2-8;3-2(4,5)1(6)7/h1-5H2,(H2,7,9);(H,6,7)
InChIKeySEPQBUVBDFPHSL-UHFFFAOYSA-N
XLogP-0.56
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 163474801
4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 126573504
2-(azetidin-1-yl)acetamide
CID 18923030
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
2-[7,14-bis(carboxymethyl)-1,4-dioxa-7,10,14-triazacyclohexadec-10-yl]acetic acid
CID 101053388
2,2-difluoro-3-morpholin-4-ylpropanehydrazide
CID 165463829
2-[13,16-bis(carboxymethyl)-7-ethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetic acid
CID 156838378
1-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642856
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid (CID 68772351) is 2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid is NC(=O)CN1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is SEPQBUVBDFPHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C2HF3O2/c7-6(9)5-8-1-3-10-4-2-8;3-2(4,5)1(6)7/h1-5H2,(H2,7,9);(H,6,7).
What are the key properties of 2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid?
2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 258.20 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68772351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).