4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid

C10H15F3N2O5 — CID 63834247

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCCOCC(F)(F)F)CCO1
InChIInChI=1S/C10H15F3N2O5/c11-10(12,13)6-19-3-1-14-9(18)15-2-4-20-7(5-15)8(16)17/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyNLVAOPANXZISOH-UHFFFAOYSA-N
MW300.23 g/mol
LogP0.06
Rot. Bonds5

About 4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid

4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid (PubChem CID 63834247) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid
PubChem CID63834247
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCCOCC(F)(F)F)CCO1
InChIInChI=1S/C10H15F3N2O5/c11-10(12,13)6-19-3-1-14-9(18)15-2-4-20-7(5-15)8(16)17/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyNLVAOPANXZISOH-UHFFFAOYSA-N
XLogP0.06
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 50.06
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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Related Compounds

Morpholine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 132087057
2-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 55251438
4-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61735871
4-(2,2,2-Trifluoroethylcarbamoyl)morpholine-2-carboxylic acid
CID 61736047
4-[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61736075
4-[Propyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61736267
4-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61736268
4-[Methyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61738409
4-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]morpholine-2-carboxylic acid
CID 61738541
4-(3,3,3-Trifluoropropylcarbamoyl)morpholine-2-carboxylic acid
CID 63227863
2-[1-(3,3,3-Trifluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875258
4-[Methyl(3,3,3-trifluoropropyl)carbamoyl]morpholine-2-carboxylic acid
CID 65538707

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid (CID 63834247) is 4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)NCCOCC(F)(F)F)CCO1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid?
The InChIKey is NLVAOPANXZISOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O5/c11-10(12,13)6-19-3-1-14-9(18)15-2-4-20-7(5-15)8(16)17/h7H,1-6H2,(H,14,18)(H,16,17).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid?
4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid has a molecular weight of 300.23 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 63834247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).