4-(1-fluoroethyl)benzoyl chloride

C9H8ClFO — CID 83854431

IUPAC4-(1-fluoroethyl)benzoyl chloride
SMILESCC(F)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C9H8ClFO/c1-6(11)7-2-4-8(5-3-7)9(10)12/h2-6H,1H3
InChIKeySRYJRIFJKSLYBD-UHFFFAOYSA-N
MW186.61 g/mol
LogP3.10
Rot. Bonds2

About 4-(1-fluoroethyl)benzoyl chloride

4-(1-fluoroethyl)benzoyl chloride (PubChem CID 83854431) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 4-(1-fluoroethyl)benzoyl chloride.

Molecular Properties

Compound Name4-(1-fluoroethyl)benzoyl chloride
PubChem CID83854431
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name4-(1-fluoroethyl)benzoyl chloride
SMILESCC(F)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C9H8ClFO/c1-6(11)7-2-4-8(5-3-7)9(10)12/h2-6H,1H3
InChIKeySRYJRIFJKSLYBD-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)benzoyl chloride?
The IUPAC name of 4-(1-fluoroethyl)benzoyl chloride (CID 83854431) is 4-(1-fluoroethyl)benzoyl chloride.
What is the SMILES notation for 4-(1-fluoroethyl)benzoyl chloride?
The canonical SMILES for 4-(1-fluoroethyl)benzoyl chloride is CC(F)c1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-(1-fluoroethyl)benzoyl chloride?
The InChIKey is SRYJRIFJKSLYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-6(11)7-2-4-8(5-3-7)9(10)12/h2-6H,1H3.
What are the key properties of 4-(1-fluoroethyl)benzoyl chloride?
4-(1-fluoroethyl)benzoyl chloride has a molecular weight of 186.61 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)benzoyl chloride is sourced from PubChem (CID 83854431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).