ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid

C9H14F3NO5 — CID 56777006

IUPACethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)C1CNCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO3.C2HF3O2/c1-2-10-7(9)6-5-8-3-4-11-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7)
InChIKeyFTIOJRCDISXDJP-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.17
Rot. Bonds2

About ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid

ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 56777006) has the molecular formula C9H14F3NO5 and a molecular weight of 273.21 g/mol. Its IUPAC name is ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID56777006
Molecular FormulaC9H14F3NO5
Molecular Weight273.21 g/mol
Exact Mass273.08
IUPAC Nameethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)C1CNCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO3.C2HF3O2/c1-2-10-7(9)6-5-8-3-4-11-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7)
InChIKeyFTIOJRCDISXDJP-UHFFFAOYSA-N
XLogP0.17
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid (CID 56777006) is ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid is CCOC(=O)C1CNCCO1.O=C(O)C(F)(F)F.
What is the InChIKey of ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is FTIOJRCDISXDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C2HF3O2/c1-2-10-7(9)6-5-8-3-4-11-6;3-2(4,5)1(6)7/h6,8H,2-5H2,1H3;(H,6,7).
What are the key properties of ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid?
ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 273.21 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl morpholine-2-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56777006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).