2-(3-fluorophenoxy)propanoyl chloride

C9H8ClFO2 — CID 139218096

IUPAC2-(3-fluorophenoxy)propanoyl chloride
SMILESCC(Oc1cccc(F)c1)C(=O)Cl
InChIInChI=1S/C9H8ClFO2/c1-6(9(10)12)13-8-4-2-3-7(11)5-8/h2-6H,1H3
InChIKeyCHNULDHYFKJELF-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.36
Rot. Bonds3

About 2-(3-fluorophenoxy)propanoyl chloride

2-(3-fluorophenoxy)propanoyl chloride (PubChem CID 139218096) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)propanoyl chloride.

Molecular Properties

Compound Name2-(3-fluorophenoxy)propanoyl chloride
PubChem CID139218096
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name2-(3-fluorophenoxy)propanoyl chloride
SMILESCC(Oc1cccc(F)c1)C(=O)Cl
InChIInChI=1S/C9H8ClFO2/c1-6(9(10)12)13-8-4-2-3-7(11)5-8/h2-6H,1H3
InChIKeyCHNULDHYFKJELF-UHFFFAOYSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238
1-(4-chlorophenyl)-2-(3-fluorophenoxy)propan-1-one
CID 43413409
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897
2-[2-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 62626189
1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
dimethyl 2-(3-fluorophenoxy)propanedioate
CID 94688000
(4-acetamidophenyl) 2-(3-fluorophenoxy)propanoate
CID 47024197
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
(2R)-2-(3,4-dimethylphenoxy)propanoyl chloride
CID 51663756
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)propanoyl chloride?
The IUPAC name of 2-(3-fluorophenoxy)propanoyl chloride (CID 139218096) is 2-(3-fluorophenoxy)propanoyl chloride.
What is the SMILES notation for 2-(3-fluorophenoxy)propanoyl chloride?
The canonical SMILES for 2-(3-fluorophenoxy)propanoyl chloride is CC(Oc1cccc(F)c1)C(=O)Cl.
What is the InChIKey of 2-(3-fluorophenoxy)propanoyl chloride?
The InChIKey is CHNULDHYFKJELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-6(9(10)12)13-8-4-2-3-7(11)5-8/h2-6H,1H3.
What are the key properties of 2-(3-fluorophenoxy)propanoyl chloride?
2-(3-fluorophenoxy)propanoyl chloride has a molecular weight of 202.61 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)propanoyl chloride is sourced from PubChem (CID 139218096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).