(E)-2-fluoro-1-phenylethenolate

C8H6FO- — CID 135042724

IUPAC(E)-2-fluoro-1-phenylethenolate
SMILES[O-]/C(=C/F)c1ccccc1
InChIInChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H/p-1/b8-6+
InChIKeyNVWUIKICRQMGHY-SOFGYWHQSA-M
MW137.13 g/mol
LogP1.31
Rot. Bonds1

About (E)-2-fluoro-1-phenylethenolate

(E)-2-fluoro-1-phenylethenolate (PubChem CID 135042724) has the molecular formula C8H6FO- and a molecular weight of 137.13 g/mol. Its IUPAC name is (E)-2-fluoro-1-phenylethenolate.

Molecular Properties

Compound Name(E)-2-fluoro-1-phenylethenolate
PubChem CID135042724
Molecular FormulaC8H6FO-
Molecular Weight137.13 g/mol
Exact Mass137.04
IUPAC Name(E)-2-fluoro-1-phenylethenolate
SMILES[O-]/C(=C/F)c1ccccc1
InChIInChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H/p-1/b8-6+
InChIKeyNVWUIKICRQMGHY-SOFGYWHQSA-M
XLogP1.31
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-1-phenylethenolate?
The IUPAC name of (E)-2-fluoro-1-phenylethenolate (CID 135042724) is (E)-2-fluoro-1-phenylethenolate.
What is the SMILES notation for (E)-2-fluoro-1-phenylethenolate?
The canonical SMILES for (E)-2-fluoro-1-phenylethenolate is [O-]/C(=C/F)c1ccccc1.
What is the InChIKey of (E)-2-fluoro-1-phenylethenolate?
The InChIKey is NVWUIKICRQMGHY-SOFGYWHQSA-M. The full InChI is InChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H/p-1/b8-6+.
What are the key properties of (E)-2-fluoro-1-phenylethenolate?
(E)-2-fluoro-1-phenylethenolate has a molecular weight of 137.13 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-1-phenylethenolate is sourced from PubChem (CID 135042724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).