2-fluoro-6-phenoxybenzoyl chloride

C13H8ClFO2 — CID 156864797

IUPAC2-fluoro-6-phenoxybenzoyl chloride
SMILESO=C(Cl)c1c(F)cccc1Oc1ccccc1
InChIInChI=1S/C13H8ClFO2/c14-13(16)12-10(15)7-4-8-11(12)17-9-5-2-1-3-6-9/h1-8H
InChIKeyIBGKODGYJOGEJS-UHFFFAOYSA-N
MW250.66 g/mol
LogP4.00
Rot. Bonds3

About 2-fluoro-6-phenoxybenzoyl chloride

2-fluoro-6-phenoxybenzoyl chloride (PubChem CID 156864797) has the molecular formula C13H8ClFO2 and a molecular weight of 250.66 g/mol. Its IUPAC name is 2-fluoro-6-phenoxybenzoyl chloride.

Molecular Properties

Compound Name2-fluoro-6-phenoxybenzoyl chloride
PubChem CID156864797
Molecular FormulaC13H8ClFO2
Molecular Weight250.66 g/mol
Exact Mass250.02
IUPAC Name2-fluoro-6-phenoxybenzoyl chloride
SMILESO=C(Cl)c1c(F)cccc1Oc1ccccc1
InChIInChI=1S/C13H8ClFO2/c14-13(16)12-10(15)7-4-8-11(12)17-9-5-2-1-3-6-9/h1-8H
InChIKeyIBGKODGYJOGEJS-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
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-chloro-1-fluoro-3-phenoxybenzene
CID 155282374
(2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate
CID 7859032
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
CID 79510931
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
2-iodo-6-phenoxybenzoic acid
CID 139966933
1-[2-(3,5-difluorophenoxy)-6-fluorophenyl]ethanone
CID 62785607
2-(3-bromo-5-fluorophenoxy)-6-fluorobenzoic acid
CID 81326096
2-fluoro-3-phenoxybenzamide
CID 58104414
1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanone
CID 60678624
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2-fluoro-6-pyridin-2-yloxybenzoic acid
CID 104629750
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-phenoxybenzoyl chloride?
The IUPAC name of 2-fluoro-6-phenoxybenzoyl chloride (CID 156864797) is 2-fluoro-6-phenoxybenzoyl chloride.
What is the SMILES notation for 2-fluoro-6-phenoxybenzoyl chloride?
The canonical SMILES for 2-fluoro-6-phenoxybenzoyl chloride is O=C(Cl)c1c(F)cccc1Oc1ccccc1.
What is the InChIKey of 2-fluoro-6-phenoxybenzoyl chloride?
The InChIKey is IBGKODGYJOGEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO2/c14-13(16)12-10(15)7-4-8-11(12)17-9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2-fluoro-6-phenoxybenzoyl chloride?
2-fluoro-6-phenoxybenzoyl chloride has a molecular weight of 250.66 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-phenoxybenzoyl chloride is sourced from PubChem (CID 156864797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).