2-bromoethanesulfonyl fluoride

C2H4BrFO2S — CID 87324198

IUPAC2-bromoethanesulfonyl fluoride
SMILESO=S(=O)(F)CCBr
InChIInChI=1S/C2H4BrFO2S/c3-1-2-7(4,5)6/h1-2H2
InChIKeyOONHMYOIZLSCHQ-UHFFFAOYSA-N
MW191.02 g/mol
LogP0.68
Rot. Bonds2

About 2-bromoethanesulfonyl fluoride

2-bromoethanesulfonyl fluoride (PubChem CID 87324198) has the molecular formula C2H4BrFO2S and a molecular weight of 191.02 g/mol. Its IUPAC name is 2-bromoethanesulfonyl fluoride.

Molecular Properties

Compound Name2-bromoethanesulfonyl fluoride
PubChem CID87324198
Molecular FormulaC2H4BrFO2S
Molecular Weight191.02 g/mol
Exact Mass189.91
IUPAC Name2-bromoethanesulfonyl fluoride
SMILESO=S(=O)(F)CCBr
InChIInChI=1S/C2H4BrFO2S/c3-1-2-7(4,5)6/h1-2H2
InChIKeyOONHMYOIZLSCHQ-UHFFFAOYSA-N
XLogP0.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromoethanesulfonyl fluoride?
The IUPAC name of 2-bromoethanesulfonyl fluoride (CID 87324198) is 2-bromoethanesulfonyl fluoride.
What is the SMILES notation for 2-bromoethanesulfonyl fluoride?
The canonical SMILES for 2-bromoethanesulfonyl fluoride is O=S(=O)(F)CCBr.
What is the InChIKey of 2-bromoethanesulfonyl fluoride?
The InChIKey is OONHMYOIZLSCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BrFO2S/c3-1-2-7(4,5)6/h1-2H2.
What are the key properties of 2-bromoethanesulfonyl fluoride?
2-bromoethanesulfonyl fluoride has a molecular weight of 191.02 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethanesulfonyl fluoride is sourced from PubChem (CID 87324198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).