4-but-3-enyl-2-fluorobenzoyl chloride

C11H10ClFO — CID 45081978

IUPAC4-but-3-enyl-2-fluorobenzoyl chloride
SMILESC=CCCc1ccc(C(=O)Cl)c(F)c1
InChIInChI=1S/C11H10ClFO/c1-2-3-4-8-5-6-9(11(12)14)10(13)7-8/h2,5-7H,1,3-4H2
InChIKeyJSZUXXPWZBMRKV-UHFFFAOYSA-N
MW212.65 g/mol
LogP3.32
Rot. Bonds4

About 4-but-3-enyl-2-fluorobenzoyl chloride

4-but-3-enyl-2-fluorobenzoyl chloride (PubChem CID 45081978) has the molecular formula C11H10ClFO and a molecular weight of 212.65 g/mol. Its IUPAC name is 4-but-3-enyl-2-fluorobenzoyl chloride.

Molecular Properties

Compound Name4-but-3-enyl-2-fluorobenzoyl chloride
PubChem CID45081978
Molecular FormulaC11H10ClFO
Molecular Weight212.65 g/mol
Exact Mass212.04
IUPAC Name4-but-3-enyl-2-fluorobenzoyl chloride
SMILESC=CCCc1ccc(C(=O)Cl)c(F)c1
InChIInChI=1S/C11H10ClFO/c1-2-3-4-8-5-6-9(11(12)14)10(13)7-8/h2,5-7H,1,3-4H2
InChIKeyJSZUXXPWZBMRKV-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-4-propylphenyl)prop-2-en-1-one
CID 19101325
2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzoyl chloride
CID 18792309
4-but-3-enyl-2-nitrobenzoic acid
CID 174589047
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
3-chloro-1-(2-fluoro-4-propylphenyl)propan-1-one
CID 19859591
4-but-3-enoxy-2-fluorobenzoic acid
CID 107675377
4-(4-but-3-enylphenyl)-1-[(3Z,5Z)-5-ethylhepta-1,3,5-trien-2-yl]-2-fluorobenzene
CID 131968614
1-but-3-enyl-4-(4-fluorophenyl)benzene
CID 59812328
4-(4-but-3-enylphenyl)butan-2-one
CID 102388020
2-fluoro-4-propylbenzamide
CID 175786906
1-(3,4-difluorophenyl)hept-6-en-2-one
CID 114974843
4-but-3-enyl-1,2-dimethylbenzene
CID 24721981

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-2-fluorobenzoyl chloride?
The IUPAC name of 4-but-3-enyl-2-fluorobenzoyl chloride (CID 45081978) is 4-but-3-enyl-2-fluorobenzoyl chloride.
What is the SMILES notation for 4-but-3-enyl-2-fluorobenzoyl chloride?
The canonical SMILES for 4-but-3-enyl-2-fluorobenzoyl chloride is C=CCCc1ccc(C(=O)Cl)c(F)c1.
What is the InChIKey of 4-but-3-enyl-2-fluorobenzoyl chloride?
The InChIKey is JSZUXXPWZBMRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO/c1-2-3-4-8-5-6-9(11(12)14)10(13)7-8/h2,5-7H,1,3-4H2.
What are the key properties of 4-but-3-enyl-2-fluorobenzoyl chloride?
4-but-3-enyl-2-fluorobenzoyl chloride has a molecular weight of 212.65 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-2-fluorobenzoyl chloride is sourced from PubChem (CID 45081978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).