3-(3-chlorophenyl)-2-fluoropent-2-enoic acid

C11H10ClFO2 — CID 79729003

IUPAC3-(3-chlorophenyl)-2-fluoropent-2-enoic acid
SMILESCCC(=C(F)C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H10ClFO2/c1-2-9(10(13)11(14)15)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,14,15)
InChIKeyHDLVEIOVKJEEHW-UHFFFAOYSA-N
MW228.65 g/mol
LogP3.52
Rot. Bonds3

About 3-(3-chlorophenyl)-2-fluoropent-2-enoic acid

3-(3-chlorophenyl)-2-fluoropent-2-enoic acid (PubChem CID 79729003) has the molecular formula C11H10ClFO2 and a molecular weight of 228.65 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-fluoropent-2-enoic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-fluoropent-2-enoic acid
PubChem CID79729003
Molecular FormulaC11H10ClFO2
Molecular Weight228.65 g/mol
Exact Mass228.04
IUPAC Name3-(3-chlorophenyl)-2-fluoropent-2-enoic acid
SMILESCCC(=C(F)C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H10ClFO2/c1-2-9(10(13)11(14)15)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,14,15)
InChIKeyHDLVEIOVKJEEHW-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-fluoropent-2-enoic acid?
The IUPAC name of 3-(3-chlorophenyl)-2-fluoropent-2-enoic acid (CID 79729003) is 3-(3-chlorophenyl)-2-fluoropent-2-enoic acid.
What is the SMILES notation for 3-(3-chlorophenyl)-2-fluoropent-2-enoic acid?
The canonical SMILES for 3-(3-chlorophenyl)-2-fluoropent-2-enoic acid is CCC(=C(F)C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-fluoropent-2-enoic acid?
The InChIKey is HDLVEIOVKJEEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO2/c1-2-9(10(13)11(14)15)7-4-3-5-8(12)6-7/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 3-(3-chlorophenyl)-2-fluoropent-2-enoic acid?
3-(3-chlorophenyl)-2-fluoropent-2-enoic acid has a molecular weight of 228.65 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-fluoropent-2-enoic acid is sourced from PubChem (CID 79729003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).