[(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate

C10H6ClFO3 — CID 10513571

IUPAC[(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate
SMILESO=C/C(F)=C/OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClFO3/c11-8-3-1-7(2-4-8)10(14)15-6-9(12)5-13/h1-6H/b9-6-
InChIKeyGKXGQDLIVKBMQU-TWGQIWQCSA-N
MW228.61 g/mol
LogP2.51
Rot. Bonds3

About [(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate

[(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate (PubChem CID 10513571) has the molecular formula C10H6ClFO3 and a molecular weight of 228.61 g/mol. Its IUPAC name is [(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate
PubChem CID10513571
Molecular FormulaC10H6ClFO3
Molecular Weight228.61 g/mol
Exact Mass228.00
IUPAC Name[(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate
SMILESO=C/C(F)=C/OC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H6ClFO3/c11-8-3-1-7(2-4-8)10(14)15-6-9(12)5-13/h1-6H/b9-6-
InChIKeyGKXGQDLIVKBMQU-TWGQIWQCSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-1-enyl 4-chlorobenzoate
CID 10703694
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
chloro 4-chlorobenzoate
CID 67325757
[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl] 4-methoxybenzoate
CID 59742607
[(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate
CID 11155678
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
dimethylamino 4-chlorobenzoate
CID 134848983
[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate
CID 146494079
(4-chloro-2-formylphenyl) 4-chlorobenzoate
CID 806646
4-chloro(13C)benzoic acid
CID 66995527
2-sulfanylethyl 4-chlorobenzoate
CID 20559900
1-(4-chlorophenyl)-4,4-difluorobut-3-en-1-one
CID 162411590

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate?
The IUPAC name of [(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate (CID 10513571) is [(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate.
What is the SMILES notation for [(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate?
The canonical SMILES for [(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate is O=C/C(F)=C/OC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate?
The InChIKey is GKXGQDLIVKBMQU-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H6ClFO3/c11-8-3-1-7(2-4-8)10(14)15-6-9(12)5-13/h1-6H/b9-6-.
What are the key properties of [(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate?
[(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate has a molecular weight of 228.61 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate is sourced from PubChem (CID 10513571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).