3-bromo-2,5-dimethylbenzenesulfonyl fluoride

C8H8BrFO2S — CID 146048550

IUPAC3-bromo-2,5-dimethylbenzenesulfonyl fluoride
SMILESCc1cc(Br)c(C)c(S(=O)(=O)F)c1
InChIInChI=1S/C8H8BrFO2S/c1-5-3-7(9)6(2)8(4-5)13(10,11)12/h3-4H,1-2H3
InChIKeyPTQYRNMZHFSAPG-UHFFFAOYSA-N
MW267.12 g/mol
LogP2.72
Rot. Bonds1

About 3-bromo-2,5-dimethylbenzenesulfonyl fluoride

3-bromo-2,5-dimethylbenzenesulfonyl fluoride (PubChem CID 146048550) has the molecular formula C8H8BrFO2S and a molecular weight of 267.12 g/mol. Its IUPAC name is 3-bromo-2,5-dimethylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name3-bromo-2,5-dimethylbenzenesulfonyl fluoride
PubChem CID146048550
Molecular FormulaC8H8BrFO2S
Molecular Weight267.12 g/mol
Exact Mass265.94
IUPAC Name3-bromo-2,5-dimethylbenzenesulfonyl fluoride
SMILESCc1cc(Br)c(C)c(S(=O)(=O)F)c1
InChIInChI=1S/C8H8BrFO2S/c1-5-3-7(9)6(2)8(4-5)13(10,11)12/h3-4H,1-2H3
InChIKeyPTQYRNMZHFSAPG-UHFFFAOYSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dimethylbenzenesulfonyl fluoride?
The IUPAC name of 3-bromo-2,5-dimethylbenzenesulfonyl fluoride (CID 146048550) is 3-bromo-2,5-dimethylbenzenesulfonyl fluoride.
What is the SMILES notation for 3-bromo-2,5-dimethylbenzenesulfonyl fluoride?
The canonical SMILES for 3-bromo-2,5-dimethylbenzenesulfonyl fluoride is Cc1cc(Br)c(C)c(S(=O)(=O)F)c1.
What is the InChIKey of 3-bromo-2,5-dimethylbenzenesulfonyl fluoride?
The InChIKey is PTQYRNMZHFSAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2S/c1-5-3-7(9)6(2)8(4-5)13(10,11)12/h3-4H,1-2H3.
What are the key properties of 3-bromo-2,5-dimethylbenzenesulfonyl fluoride?
3-bromo-2,5-dimethylbenzenesulfonyl fluoride has a molecular weight of 267.12 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethylbenzenesulfonyl fluoride is sourced from PubChem (CID 146048550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).