N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide

C10H15F3N2O2 — CID 126835767

IUPACN-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide
SMILESC=CC(=O)NCC(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-2-9(16)14-7-8(10(11,12)13)15-3-5-17-6-4-15/h2,8H,1,3-7H2,(H,14,16)
InChIKeyLYJGFNARNMCRQN-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.55
Rot. Bonds4

About N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide

N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide (PubChem CID 126835767) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide
PubChem CID126835767
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC NameN-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide
SMILESC=CC(=O)NCC(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c1-2-9(16)14-7-8(10(11,12)13)15-3-5-17-6-4-15/h2,8H,1,3-7H2,(H,14,16)
InChIKeyLYJGFNARNMCRQN-UHFFFAOYSA-N
XLogP0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide?
The IUPAC name of N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide (CID 126835767) is N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide is C=CC(=O)NCC(N1CCOCC1)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide?
The InChIKey is LYJGFNARNMCRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-2-9(16)14-7-8(10(11,12)13)15-3-5-17-6-4-15/h2,8H,1,3-7H2,(H,14,16).
What are the key properties of N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide?
N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide has a molecular weight of 252.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)prop-2-enamide is sourced from PubChem (CID 126835767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).