2-fluoroethyl 2-fluoroprop-2-enoate

C5H6F2O2 — CID 20802284

IUPAC2-fluoroethyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCF
InChIInChI=1S/C5H6F2O2/c1-4(7)5(8)9-3-2-6/h1-3H2
InChIKeyOPDUGZRZVJEKGM-UHFFFAOYSA-N
MW136.10 g/mol
LogP0.98
Rot. Bonds3

About 2-fluoroethyl 2-fluoroprop-2-enoate

2-fluoroethyl 2-fluoroprop-2-enoate (PubChem CID 20802284) has the molecular formula C5H6F2O2 and a molecular weight of 136.10 g/mol. Its IUPAC name is 2-fluoroethyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name2-fluoroethyl 2-fluoroprop-2-enoate
PubChem CID20802284
Molecular FormulaC5H6F2O2
Molecular Weight136.10 g/mol
Exact Mass136.03
IUPAC Name2-fluoroethyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCF
InChIInChI=1S/C5H6F2O2/c1-4(7)5(8)9-3-2-6/h1-3H2
InChIKeyOPDUGZRZVJEKGM-UHFFFAOYSA-N
XLogP0.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-fluoroethyl 2-fluoroprop-2-enoate?
The IUPAC name of 2-fluoroethyl 2-fluoroprop-2-enoate (CID 20802284) is 2-fluoroethyl 2-fluoroprop-2-enoate.
What is the SMILES notation for 2-fluoroethyl 2-fluoroprop-2-enoate?
The canonical SMILES for 2-fluoroethyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 2-fluoroprop-2-enoate?
The InChIKey is OPDUGZRZVJEKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O2/c1-4(7)5(8)9-3-2-6/h1-3H2.
What are the key properties of 2-fluoroethyl 2-fluoroprop-2-enoate?
2-fluoroethyl 2-fluoroprop-2-enoate has a molecular weight of 136.10 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 20802284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).