2-fluoro-5-(4-fluorophenyl)benzoyl chloride

C13H7ClF2O — CID 46312387

IUPAC2-fluoro-5-(4-fluorophenyl)benzoyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C13H7ClF2O/c14-13(17)11-7-9(3-6-12(11)16)8-1-4-10(15)5-2-8/h1-7H
InChIKeyORJLSQUKGBAZPS-UHFFFAOYSA-N
MW252.65 g/mol
LogP4.01
Rot. Bonds2

About 2-fluoro-5-(4-fluorophenyl)benzoyl chloride

2-fluoro-5-(4-fluorophenyl)benzoyl chloride (PubChem CID 46312387) has the molecular formula C13H7ClF2O and a molecular weight of 252.65 g/mol. Its IUPAC name is 2-fluoro-5-(4-fluorophenyl)benzoyl chloride.

Molecular Properties

Compound Name2-fluoro-5-(4-fluorophenyl)benzoyl chloride
PubChem CID46312387
Molecular FormulaC13H7ClF2O
Molecular Weight252.65 g/mol
Exact Mass252.02
IUPAC Name2-fluoro-5-(4-fluorophenyl)benzoyl chloride
SMILESO=C(Cl)c1cc(-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C13H7ClF2O/c14-13(17)11-7-9(3-6-12(11)16)8-1-4-10(15)5-2-8/h1-7H
InChIKeyORJLSQUKGBAZPS-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 54.01
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-chloro-2-fluorobenzoyl chloride
CID 2773604
2-fluoro-5-pyridin-3-ylbenzoyl chloride
CID 46315592
5-(2,3-difluorophenyl)-2-fluorobenzoyl chloride
CID 118806458
4-fluorobenzene-1,3-dicarbonyl chloride
CID 21419886
2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride
CID 46314485
ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
2-chloro-1-(2-fluoro-5-phenylphenyl)ethanone
CID 83988612
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
2-fluoro-5-pyridin-4-ylbenzamide
CID 46315517
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
[2-fluoro-5-(4-fluorophenyl)phenyl]-oxosulfanium
CID 174486485

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-fluorophenyl)benzoyl chloride?
The IUPAC name of 2-fluoro-5-(4-fluorophenyl)benzoyl chloride (CID 46312387) is 2-fluoro-5-(4-fluorophenyl)benzoyl chloride.
What is the SMILES notation for 2-fluoro-5-(4-fluorophenyl)benzoyl chloride?
The canonical SMILES for 2-fluoro-5-(4-fluorophenyl)benzoyl chloride is O=C(Cl)c1cc(-c2ccc(F)cc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(4-fluorophenyl)benzoyl chloride?
The InChIKey is ORJLSQUKGBAZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2O/c14-13(17)11-7-9(3-6-12(11)16)8-1-4-10(15)5-2-8/h1-7H.
What are the key properties of 2-fluoro-5-(4-fluorophenyl)benzoyl chloride?
2-fluoro-5-(4-fluorophenyl)benzoyl chloride has a molecular weight of 252.65 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-fluorophenyl)benzoyl chloride is sourced from PubChem (CID 46312387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).