(E)-2-fluoro-3-phenylprop-2-enoate

C9H6FO2- — CID 20564685

IUPAC(E)-2-fluoro-3-phenylprop-2-enoate
SMILESO=C([O-])/C(F)=C\c1ccccc1
InChIInChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/p-1/b8-6+
InChIKeyQONCEXMULRJPPY-SOFGYWHQSA-M
MW165.14 g/mol
LogP0.75
Rot. Bonds2

About (E)-2-fluoro-3-phenylprop-2-enoate

(E)-2-fluoro-3-phenylprop-2-enoate (PubChem CID 20564685) has the molecular formula C9H6FO2- and a molecular weight of 165.14 g/mol. Its IUPAC name is (E)-2-fluoro-3-phenylprop-2-enoate.

Molecular Properties

Compound Name(E)-2-fluoro-3-phenylprop-2-enoate
PubChem CID20564685
Molecular FormulaC9H6FO2-
Molecular Weight165.14 g/mol
Exact Mass165.04
IUPAC Name(E)-2-fluoro-3-phenylprop-2-enoate
SMILESO=C([O-])/C(F)=C\c1ccccc1
InChIInChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/p-1/b8-6+
InChIKeyQONCEXMULRJPPY-SOFGYWHQSA-M
XLogP0.75
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.75
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 (E)-2-fluoro-3-phenylprop-2-enoate?
The IUPAC name of (E)-2-fluoro-3-phenylprop-2-enoate (CID 20564685) is (E)-2-fluoro-3-phenylprop-2-enoate.
What is the SMILES notation for (E)-2-fluoro-3-phenylprop-2-enoate?
The canonical SMILES for (E)-2-fluoro-3-phenylprop-2-enoate is O=C([O-])/C(F)=C\c1ccccc1.
What is the InChIKey of (E)-2-fluoro-3-phenylprop-2-enoate?
The InChIKey is QONCEXMULRJPPY-SOFGYWHQSA-M. The full InChI is InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/p-1/b8-6+.
What are the key properties of (E)-2-fluoro-3-phenylprop-2-enoate?
(E)-2-fluoro-3-phenylprop-2-enoate has a molecular weight of 165.14 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-phenylprop-2-enoate is sourced from PubChem (CID 20564685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).