4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride

C13H7ClF2OS — CID 54468098

IUPAC4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride
SMILESO=C(Cl)c1ccc(F)cc1Sc1cccc(F)c1
InChIInChI=1S/C13H7ClF2OS/c14-13(17)11-5-4-9(16)7-12(11)18-10-3-1-2-8(15)6-10/h1-7H
InChIKeyXGJUOCCLAIFTAI-UHFFFAOYSA-N
MW284.71 g/mol
LogP4.49
Rot. Bonds3

About 4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride

4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride (PubChem CID 54468098) has the molecular formula C13H7ClF2OS and a molecular weight of 284.71 g/mol. Its IUPAC name is 4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride.

Molecular Properties

Compound Name4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride
PubChem CID54468098
Molecular FormulaC13H7ClF2OS
Molecular Weight284.71 g/mol
Exact Mass283.99
IUPAC Name4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride
SMILESO=C(Cl)c1ccc(F)cc1Sc1cccc(F)c1
InChIInChI=1S/C13H7ClF2OS/c14-13(17)11-5-4-9(16)7-12(11)18-10-3-1-2-8(15)6-10/h1-7H
InChIKeyXGJUOCCLAIFTAI-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 54.49
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-(3-fluorophenyl)sulfanyl-4-methoxybenzoic acid
CID 81309333
2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 63673346
4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide
CID 54513652
5-chloro-2-(3-fluorophenyl)sulfanylbenzaldehyde
CID 114863766
4-(3-fluorophenyl)sulfanylphenol
CID 91875611
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)sulfanyl-N-methylbenzamide
CID 15132119
but-2-enedioic acid;1-[5-fluoro-2-(3-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 67633163
2-phenylsulfanylbenzoic acid;2-phenylsulfanylbenzoyl chloride
CID 161226077
1-fluoro-3-(2-isocyanatophenyl)sulfanylbenzene
CID 175062360
1-(2,4-difluorophenyl)-2-phenylsulfanylpropan-1-one
CID 43232354
5-fluoro-2-sulfanylbenzoyl chloride
CID 141364500
2-fluoro-3-(3-fluorophenyl)benzoyl chloride
CID 46312371

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride?
The IUPAC name of 4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride (CID 54468098) is 4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride.
What is the SMILES notation for 4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride?
The canonical SMILES for 4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride is O=C(Cl)c1ccc(F)cc1Sc1cccc(F)c1.
What is the InChIKey of 4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride?
The InChIKey is XGJUOCCLAIFTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2OS/c14-13(17)11-5-4-9(16)7-12(11)18-10-3-1-2-8(15)6-10/h1-7H.
What are the key properties of 4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride?
4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride has a molecular weight of 284.71 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride is sourced from PubChem (CID 54468098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).