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

C10H14F3NO5 — CID 167657441

IUPAC2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)OCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H14F3NO5/c1-7(5-17-2)8(15)18-4-3-14-9(16)19-6-10(11,12)13/h1,3-6H2,2H3,(H,14,16)
InChIKeyBMAKPQRZBHKAND-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.02
Rot. Bonds7

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

2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate (PubChem CID 167657441) has the molecular formula C10H14F3NO5 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate
PubChem CID167657441
Molecular FormulaC10H14F3NO5
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Name2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate
SMILESC=C(COC)C(=O)OCCNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H14F3NO5/c1-7(5-17-2)8(15)18-4-3-14-9(16)19-6-10(11,12)13/h1,3-6H2,2H3,(H,14,16)
InChIKeyBMAKPQRZBHKAND-UHFFFAOYSA-N
XLogP1.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.02
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-(methoxymethyl)prop-2-enoate?
The IUPAC name of 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate (CID 167657441) is 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate?
The canonical SMILES for 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate is C=C(COC)C(=O)OCCNC(=O)OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate?
The InChIKey is BMAKPQRZBHKAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO5/c1-7(5-17-2)8(15)18-4-3-14-9(16)19-6-10(11,12)13/h1,3-6H2,2H3,(H,14,16).
What are the key properties of 2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate?
2-(2,2,2-trifluoroethoxycarbonylamino)ethyl 2-(methoxymethyl)prop-2-enoate has a molecular weight of 285.22 g/mol, XLogP of 1.02, 7 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-(methoxymethyl)prop-2-enoate is sourced from PubChem (CID 167657441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).