5-fluoro-2-phenylbenzoyl chloride

C13H8ClFO — CID 46314879

IUPAC5-fluoro-2-phenylbenzoyl chloride
SMILESO=C(Cl)c1cc(F)ccc1-c1ccccc1
InChIInChI=1S/C13H8ClFO/c14-13(16)12-8-10(15)6-7-11(12)9-4-2-1-3-5-9/h1-8H
InChIKeyBFKBGLBDEQZBNV-UHFFFAOYSA-N
MW234.66 g/mol
LogP3.87
Rot. Bonds2

About 5-fluoro-2-phenylbenzoyl chloride

5-fluoro-2-phenylbenzoyl chloride (PubChem CID 46314879) has the molecular formula C13H8ClFO and a molecular weight of 234.66 g/mol. Its IUPAC name is 5-fluoro-2-phenylbenzoyl chloride.

Molecular Properties

Compound Name5-fluoro-2-phenylbenzoyl chloride
PubChem CID46314879
Molecular FormulaC13H8ClFO
Molecular Weight234.66 g/mol
Exact Mass234.02
IUPAC Name5-fluoro-2-phenylbenzoyl chloride
SMILESO=C(Cl)c1cc(F)ccc1-c1ccccc1
InChIInChI=1S/C13H8ClFO/c14-13(16)12-8-10(15)6-7-11(12)9-4-2-1-3-5-9/h1-8H
InChIKeyBFKBGLBDEQZBNV-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-pyridin-3-ylbenzoyl chloride
CID 46315579
2-phenyl-5-(trichloromethyl)benzoyl chloride
CID 87738729
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323
5-nitro-2-phenylbenzoyl chloride
CID 21406523
2-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
5-fluoro-2-sulfanylbenzoyl chloride
CID 141364500
2,3-dimethoxy-4-phenylbenzoyl chloride
CID 18351428
2-fluoro-3-(3-fluorophenyl)benzoyl chloride
CID 46312371
2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
1-[5-fluoro-2-(4-methylphenyl)phenyl]ethanone
CID 175647024
5-fluoro-2-phenylbenzenesulfonic acid
CID 18324012
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenylbenzoyl chloride?
The IUPAC name of 5-fluoro-2-phenylbenzoyl chloride (CID 46314879) is 5-fluoro-2-phenylbenzoyl chloride.
What is the SMILES notation for 5-fluoro-2-phenylbenzoyl chloride?
The canonical SMILES for 5-fluoro-2-phenylbenzoyl chloride is O=C(Cl)c1cc(F)ccc1-c1ccccc1.
What is the InChIKey of 5-fluoro-2-phenylbenzoyl chloride?
The InChIKey is BFKBGLBDEQZBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO/c14-13(16)12-8-10(15)6-7-11(12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-fluoro-2-phenylbenzoyl chloride?
5-fluoro-2-phenylbenzoyl chloride has a molecular weight of 234.66 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenylbenzoyl chloride is sourced from PubChem (CID 46314879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).