2-(2-fluorophenyl)acetyl chloride

C8H6ClFO — CID 14004011

IUPAC2-(2-fluorophenyl)acetyl chloride
SMILESO=C(Cl)Cc1ccccc1F
InChIInChI=1S/C8H6ClFO/c9-8(11)5-6-3-1-2-4-7(6)10/h1-4H,5H2
InChIKeyKUMKNGTWQNSAQW-UHFFFAOYSA-N
MW172.59 g/mol
LogP2.13
Rot. Bonds2

About 2-(2-fluorophenyl)acetyl chloride

2-(2-fluorophenyl)acetyl chloride (PubChem CID 14004011) has the molecular formula C8H6ClFO and a molecular weight of 172.59 g/mol. Its IUPAC name is 2-(2-fluorophenyl)acetyl chloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)acetyl chloride
PubChem CID14004011
Molecular FormulaC8H6ClFO
Molecular Weight172.59 g/mol
Exact Mass172.01
IUPAC Name2-(2-fluorophenyl)acetyl chloride
SMILESO=C(Cl)Cc1ccccc1F
InChIInChI=1S/C8H6ClFO/c9-8(11)5-6-3-1-2-4-7(6)10/h1-4H,5H2
InChIKeyKUMKNGTWQNSAQW-UHFFFAOYSA-N
XLogP2.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.13
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 2-(2-fluorophenyl)acetyl chloride?
The IUPAC name of 2-(2-fluorophenyl)acetyl chloride (CID 14004011) is 2-(2-fluorophenyl)acetyl chloride.
What is the SMILES notation for 2-(2-fluorophenyl)acetyl chloride?
The canonical SMILES for 2-(2-fluorophenyl)acetyl chloride is O=C(Cl)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)acetyl chloride?
The InChIKey is KUMKNGTWQNSAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO/c9-8(11)5-6-3-1-2-4-7(6)10/h1-4H,5H2.
What are the key properties of 2-(2-fluorophenyl)acetyl chloride?
2-(2-fluorophenyl)acetyl chloride has a molecular weight of 172.59 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)acetyl chloride is sourced from PubChem (CID 14004011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).