phenyl 2-fluoroprop-2-enoate

C9H7FO2 — CID 13464699

IUPACphenyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)Oc1ccccc1
InChIInChI=1S/C9H7FO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyDAUUTPNYARQHSR-UHFFFAOYSA-N
MW166.15 g/mol
LogP2.08
Rot. Bonds2

About phenyl 2-fluoroprop-2-enoate

phenyl 2-fluoroprop-2-enoate (PubChem CID 13464699) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is phenyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Namephenyl 2-fluoroprop-2-enoate
PubChem CID13464699
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Namephenyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)Oc1ccccc1
InChIInChI=1S/C9H7FO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyDAUUTPNYARQHSR-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-fluoroprop-2-enoate?
The IUPAC name of phenyl 2-fluoroprop-2-enoate (CID 13464699) is phenyl 2-fluoroprop-2-enoate.
What is the SMILES notation for phenyl 2-fluoroprop-2-enoate?
The canonical SMILES for phenyl 2-fluoroprop-2-enoate is C=C(F)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-fluoroprop-2-enoate?
The InChIKey is DAUUTPNYARQHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-6H,1H2.
What are the key properties of phenyl 2-fluoroprop-2-enoate?
phenyl 2-fluoroprop-2-enoate has a molecular weight of 166.15 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 13464699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).