ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate

C7H8F4O3 — CID 57291815

IUPACethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate
SMILESC=C(OC(F)(F)C(F)F)C(=O)OCC
InChIInChI=1S/C7H8F4O3/c1-3-13-5(12)4(2)14-7(10,11)6(8)9/h6H,2-3H2,1H3
InChIKeyHXLKHHPQUIJKOG-UHFFFAOYSA-N
MW216.13 g/mol
LogP1.94
Rot. Bonds5

About ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate

ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate (PubChem CID 57291815) has the molecular formula C7H8F4O3 and a molecular weight of 216.13 g/mol. Its IUPAC name is ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate
PubChem CID57291815
Molecular FormulaC7H8F4O3
Molecular Weight216.13 g/mol
Exact Mass216.04
IUPAC Nameethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate
SMILESC=C(OC(F)(F)C(F)F)C(=O)OCC
InChIInChI=1S/C7H8F4O3/c1-3-13-5(12)4(2)14-7(10,11)6(8)9/h6H,2-3H2,1H3
InChIKeyHXLKHHPQUIJKOG-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate?
The IUPAC name of ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate (CID 57291815) is ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate.
What is the SMILES notation for ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate?
The canonical SMILES for ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate is C=C(OC(F)(F)C(F)F)C(=O)OCC.
What is the InChIKey of ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate?
The InChIKey is HXLKHHPQUIJKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O3/c1-3-13-5(12)4(2)14-7(10,11)6(8)9/h6H,2-3H2,1H3.
What are the key properties of ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate?
ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate has a molecular weight of 216.13 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,1,2,2-tetrafluoroethoxy)prop-2-enoate is sourced from PubChem (CID 57291815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).