4-(2,4-difluorophenoxy)benzoyl chloride

C13H7ClF2O2 — CID 90119275

IUPAC4-(2,4-difluorophenoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C13H7ClF2O2/c14-13(17)8-1-4-10(5-2-8)18-12-6-3-9(15)7-11(12)16/h1-7H
InChIKeyWAOQFSDIEBSCET-UHFFFAOYSA-N
MW268.65 g/mol
LogP4.14
Rot. Bonds3

About 4-(2,4-difluorophenoxy)benzoyl chloride

4-(2,4-difluorophenoxy)benzoyl chloride (PubChem CID 90119275) has the molecular formula C13H7ClF2O2 and a molecular weight of 268.65 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)benzoyl chloride.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)benzoyl chloride
PubChem CID90119275
Molecular FormulaC13H7ClF2O2
Molecular Weight268.65 g/mol
Exact Mass268.01
IUPAC Name4-(2,4-difluorophenoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C13H7ClF2O2/c14-13(17)8-1-4-10(5-2-8)18-12-6-3-9(15)7-11(12)16/h1-7H
InChIKeyWAOQFSDIEBSCET-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 54.14
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

3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one
CID 21322566
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide
CID 56788122
3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol
CID 54201051
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(2,4-difluorophenoxy)phenyl]methanone
CID 120659467
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 95623125
[4-(2,4-difluorophenoxy)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119577253

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)benzoyl chloride?
The IUPAC name of 4-(2,4-difluorophenoxy)benzoyl chloride (CID 90119275) is 4-(2,4-difluorophenoxy)benzoyl chloride.
What is the SMILES notation for 4-(2,4-difluorophenoxy)benzoyl chloride?
The canonical SMILES for 4-(2,4-difluorophenoxy)benzoyl chloride is O=C(Cl)c1ccc(Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4-difluorophenoxy)benzoyl chloride?
The InChIKey is WAOQFSDIEBSCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O2/c14-13(17)8-1-4-10(5-2-8)18-12-6-3-9(15)7-11(12)16/h1-7H.
What are the key properties of 4-(2,4-difluorophenoxy)benzoyl chloride?
4-(2,4-difluorophenoxy)benzoyl chloride has a molecular weight of 268.65 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)benzoyl chloride is sourced from PubChem (CID 90119275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).