2-(3,5-difluorophenoxy)acetyl chloride

C8H5ClF2O2 — CID 168917412

IUPAC2-(3,5-difluorophenoxy)acetyl chloride
SMILESO=C(Cl)COc1cc(F)cc(F)c1
InChIInChI=1S/C8H5ClF2O2/c9-8(12)4-13-7-2-5(10)1-6(11)3-7/h1-3H,4H2
InChIKeyJPXRHELNUAGKTN-UHFFFAOYSA-N
MW206.57 g/mol
LogP2.11
Rot. Bonds3

About 2-(3,5-difluorophenoxy)acetyl chloride

2-(3,5-difluorophenoxy)acetyl chloride (PubChem CID 168917412) has the molecular formula C8H5ClF2O2 and a molecular weight of 206.57 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)acetyl chloride.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)acetyl chloride
PubChem CID168917412
Molecular FormulaC8H5ClF2O2
Molecular Weight206.57 g/mol
Exact Mass205.99
IUPAC Name2-(3,5-difluorophenoxy)acetyl chloride
SMILESO=C(Cl)COc1cc(F)cc(F)c1
InChIInChI=1S/C8H5ClF2O2/c9-8(12)4-13-7-2-5(10)1-6(11)3-7/h1-3H,4H2
InChIKeyJPXRHELNUAGKTN-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.57
LogP ≤ 52.11
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-(3,5-difluorophenoxy)-3,3-dimethylbutan-2-one
CID 62784864
1-(3,5-difluorophenoxy)-3-methoxypropan-2-one
CID 107508147
2-(3-chloro-5-fluorophenoxy)acetic acid
CID 23273755
1-cyclopropyl-2-(3,5-difluorophenoxy)ethanone
CID 63908587
2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide
CID 91620381
2-(4-fluoro-3-methylphenoxy)acetyl chloride
CID 59775204
2-(3,5-difluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 62785048
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-[(3,5-difluorophenoxy)methyl]prop-2-en-1-amine
CID 103067211
N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide
CID 110488128
2-(3,5-difluorophenoxy)-1-(4-methylsulfanylphenyl)ethanone
CID 62785613
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)acetyl chloride?
The IUPAC name of 2-(3,5-difluorophenoxy)acetyl chloride (CID 168917412) is 2-(3,5-difluorophenoxy)acetyl chloride.
What is the SMILES notation for 2-(3,5-difluorophenoxy)acetyl chloride?
The canonical SMILES for 2-(3,5-difluorophenoxy)acetyl chloride is O=C(Cl)COc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)acetyl chloride?
The InChIKey is JPXRHELNUAGKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O2/c9-8(12)4-13-7-2-5(10)1-6(11)3-7/h1-3H,4H2.
What are the key properties of 2-(3,5-difluorophenoxy)acetyl chloride?
2-(3,5-difluorophenoxy)acetyl chloride has a molecular weight of 206.57 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)acetyl chloride is sourced from PubChem (CID 168917412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).