2-(2-chlorophenoxy)benzoyl fluoride

C13H8ClFO2 — CID 91803737

IUPAC2-(2-chlorophenoxy)benzoyl fluoride
SMILESO=C(F)c1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C13H8ClFO2/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H
InChIKeyMAMXPFTVKHTMIU-UHFFFAOYSA-N
MW250.66 g/mol
LogP4.24
Rot. Bonds3

About 2-(2-chlorophenoxy)benzoyl fluoride

2-(2-chlorophenoxy)benzoyl fluoride (PubChem CID 91803737) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)benzoyl fluoride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)benzoyl fluoride
PubChem CID91803737
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name2-(2-chlorophenoxy)benzoyl fluoride
SMILESO=C(F)c1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C13H8ClFO2/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H
InChIKeyMAMXPFTVKHTMIU-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 54.24
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

[2-(2-chlorophenoxy)phenyl]-trifluoroboranuide
CID 134969545
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
2-chloro-6-(2-chlorophenoxy)phenol
CID 101247244
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592
1-(1-fluoroethenyl)-2-[2-(1-fluoroethenyl)phenoxy]benzene
CID 175154392
1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
CID 112677577
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
2-(3-chloro-2-formylphenoxy)benzamide
CID 28603903
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)benzoyl fluoride?
The IUPAC name of 2-(2-chlorophenoxy)benzoyl fluoride (CID 91803737) is 2-(2-chlorophenoxy)benzoyl fluoride.
What is the SMILES notation for 2-(2-chlorophenoxy)benzoyl fluoride?
The canonical SMILES for 2-(2-chlorophenoxy)benzoyl fluoride is O=C(F)c1ccccc1Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)benzoyl fluoride?
The InChIKey is MAMXPFTVKHTMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1-8H.
What are the key properties of 2-(2-chlorophenoxy)benzoyl fluoride?
2-(2-chlorophenoxy)benzoyl fluoride has a molecular weight of 250.66 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)benzoyl fluoride is sourced from PubChem (CID 91803737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).