N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride

C10H16ClF3N2O2 — CID 119748919

IUPACN-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride
SMILESC=CCN(CC(F)(F)F)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C10H15F3N2O2.ClH/c1-2-4-15(7-10(11,12)13)9(16)8-6-14-3-5-17-8;/h2,8,14H,1,3-7H2;1H
InChIKeySXUNUHWUXRCXDH-UHFFFAOYSA-N
MW288.70 g/mol
LogP0.97
Rot. Bonds4

About N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride

N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119748919) has the molecular formula C10H16ClF3N2O2 and a molecular weight of 288.70 g/mol. Its IUPAC name is N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119748919
Molecular FormulaC10H16ClF3N2O2
Molecular Weight288.70 g/mol
Exact Mass288.09
IUPAC NameN-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride
SMILESC=CCN(CC(F)(F)F)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C10H15F3N2O2.ClH/c1-2-4-15(7-10(11,12)13)9(16)8-6-14-3-5-17-8;/h2,8,14H,1,3-7H2;1H
InChIKeySXUNUHWUXRCXDH-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride (CID 119748919) is N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride is C=CCN(CC(F)(F)F)C(=O)C1CNCCO1.Cl.
What is the InChIKey of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is SXUNUHWUXRCXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2.ClH/c1-2-4-15(7-10(11,12)13)9(16)8-6-14-3-5-17-8;/h2,8,14H,1,3-7H2;1H.
What are the key properties of N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride?
N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 288.70 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119748919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).