2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate

C11H16F3NO5 — CID 167552426

IUPAC2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate
SMILESC=C(COCC)C(=O)OCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C11H16F3NO5/c1-3-18-6-8(2)9(16)19-5-4-15-10(17)20-7-11(12,13)14/h2-7H2,1H3,(H,15,17)
InChIKeyMSUORKUUELQGOA-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.41
Rot. Bonds8

About 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate

2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate (PubChem CID 167552426) has the molecular formula C11H16F3NO5 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate
PubChem CID167552426
Molecular FormulaC11H16F3NO5
Molecular Weight299.25 g/mol
Exact Mass299.10
IUPAC Name2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate
SMILESC=C(COCC)C(=O)OCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C11H16F3NO5/c1-3-18-6-8(2)9(16)19-5-4-15-10(17)20-7-11(12,13)14/h2-7H2,1H3,(H,15,17)
InChIKeyMSUORKUUELQGOA-UHFFFAOYSA-N
XLogP1.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate?
The IUPAC name of 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate (CID 167552426) is 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate?
The canonical SMILES for 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate is C=C(COCC)C(=O)OCCNC(=O)OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate?
The InChIKey is MSUORKUUELQGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO5/c1-3-18-6-8(2)9(16)19-5-4-15-10(17)20-7-11(12,13)14/h2-7H2,1H3,(H,15,17).
What are the key properties of 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate?
2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate has a molecular weight of 299.25 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(ethoxymethyl)prop-2-enoate is sourced from PubChem (CID 167552426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).