4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride

C7H4ClF5OS — CID 2779215

IUPAC4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C7H4ClF5OS/c8-7(14)5-1-3-6(4-2-5)15(9,10,11,12)13/h1-4H
InChIKeyNNFDYUZNKYWPGP-UHFFFAOYSA-N
MW266.62 g/mol
LogP4.72
Rot. Bonds2

About 4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride

4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride (PubChem CID 2779215) has the molecular formula C7H4ClF5OS and a molecular weight of 266.62 g/mol. Its IUPAC name is 4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride.

Molecular Properties

Compound Name4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride
PubChem CID2779215
Molecular FormulaC7H4ClF5OS
Molecular Weight266.62 g/mol
Exact Mass265.96
IUPAC Name4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C7H4ClF5OS/c8-7(14)5-1-3-6(4-2-5)15(9,10,11,12)13/h1-4H
InChIKeyNNFDYUZNKYWPGP-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.62
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride?
The IUPAC name of 4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride (CID 2779215) is 4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride.
What is the SMILES notation for 4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride?
The canonical SMILES for 4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride is O=C(Cl)c1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of 4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride?
The InChIKey is NNFDYUZNKYWPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF5OS/c8-7(14)5-1-3-6(4-2-5)15(9,10,11,12)13/h1-4H.
What are the key properties of 4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride?
4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride has a molecular weight of 266.62 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride is sourced from PubChem (CID 2779215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).