2-ethenylmorpholine;2,2,2-trifluoroacetic acid

C8H12F3NO3 — CID 146049591

IUPAC2-ethenylmorpholine;2,2,2-trifluoroacetic acid
SMILESC=CC1CNCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11NO.C2HF3O2/c1-2-6-5-7-3-4-8-6;3-2(4,5)1(6)7/h2,6-7H,1,3-5H2;(H,6,7)
InChIKeyBFCDIRKDGYSZIH-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.79
Rot. Bonds1

About 2-ethenylmorpholine;2,2,2-trifluoroacetic acid

2-ethenylmorpholine;2,2,2-trifluoroacetic acid (PubChem CID 146049591) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-ethenylmorpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-ethenylmorpholine;2,2,2-trifluoroacetic acid
PubChem CID146049591
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name2-ethenylmorpholine;2,2,2-trifluoroacetic acid
SMILESC=CC1CNCCO1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11NO.C2HF3O2/c1-2-6-5-7-3-4-8-6;3-2(4,5)1(6)7/h2,6-7H,1,3-5H2;(H,6,7)
InChIKeyBFCDIRKDGYSZIH-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.79
H-Bond Donors ≤ 52
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 2-ethenylmorpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-ethenylmorpholine;2,2,2-trifluoroacetic acid (CID 146049591) is 2-ethenylmorpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-ethenylmorpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-ethenylmorpholine;2,2,2-trifluoroacetic acid is C=CC1CNCCO1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-ethenylmorpholine;2,2,2-trifluoroacetic acid?
The InChIKey is BFCDIRKDGYSZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2HF3O2/c1-2-6-5-7-3-4-8-6;3-2(4,5)1(6)7/h2,6-7H,1,3-5H2;(H,6,7).
What are the key properties of 2-ethenylmorpholine;2,2,2-trifluoroacetic acid?
2-ethenylmorpholine;2,2,2-trifluoroacetic acid has a molecular weight of 227.18 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylmorpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146049591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).