N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride

C9H16ClF3N2O3 — CID 119704745

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCOCC(F)(F)F)C1CNCCO1
InChIInChI=1S/C9H15F3N2O3.ClH/c10-9(11,12)6-16-3-2-14-8(15)7-5-13-1-4-17-7;/h7,13H,1-6H2,(H,14,15);1H
InChIKeyFJOFTNBBOQLGKG-UHFFFAOYSA-N
MW292.69 g/mol
LogP0.09
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride

N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119704745) has the molecular formula C9H16ClF3N2O3 and a molecular weight of 292.69 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119704745
Molecular FormulaC9H16ClF3N2O3
Molecular Weight292.69 g/mol
Exact Mass292.08
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCOCC(F)(F)F)C1CNCCO1
InChIInChI=1S/C9H15F3N2O3.ClH/c10-9(11,12)6-16-3-2-14-8(15)7-5-13-1-4-17-7;/h7,13H,1-6H2,(H,14,15);1H
InChIKeyFJOFTNBBOQLGKG-UHFFFAOYSA-N
XLogP0.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride (CID 119704745) is N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NCCOCC(F)(F)F)C1CNCCO1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is FJOFTNBBOQLGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3.ClH/c10-9(11,12)6-16-3-2-14-8(15)7-5-13-1-4-17-7;/h7,13H,1-6H2,(H,14,15);1H.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride?
N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 292.69 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119704745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).