ethyl (E)-3-(3-fluorophenyl)prop-2-enoate

C11H11FO2 — CID 5373048

IUPACethyl (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C11H11FO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3/b7-6+
InChIKeyLXHLBKGIOOFCAR-VOTSOKGWSA-N
MW194.20 g/mol
LogP2.40
Rot. Bonds3

About ethyl (E)-3-(3-fluorophenyl)prop-2-enoate

ethyl (E)-3-(3-fluorophenyl)prop-2-enoate (PubChem CID 5373048) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is ethyl (E)-3-(3-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3-fluorophenyl)prop-2-enoate
PubChem CID5373048
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Nameethyl (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C11H11FO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3/b7-6+
InChIKeyLXHLBKGIOOFCAR-VOTSOKGWSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.40
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 ethyl (E)-3-(3-fluorophenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(3-fluorophenyl)prop-2-enoate (CID 5373048) is ethyl (E)-3-(3-fluorophenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3-fluorophenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3-fluorophenyl)prop-2-enoate is CCOC(=O)/C=C/c1cccc(F)c1.
What is the InChIKey of ethyl (E)-3-(3-fluorophenyl)prop-2-enoate?
The InChIKey is LXHLBKGIOOFCAR-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H11FO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3/b7-6+.
What are the key properties of ethyl (E)-3-(3-fluorophenyl)prop-2-enoate?
ethyl (E)-3-(3-fluorophenyl)prop-2-enoate has a molecular weight of 194.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 5373048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).