(E)-3-bromoprop-1-ene-1-sulfonyl fluoride

C3H4BrFO2S — CID 178200674

IUPAC(E)-3-bromoprop-1-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)/C=C/CBr
InChIInChI=1S/C3H4BrFO2S/c4-2-1-3-8(5,6)7/h1,3H,2H2/b3-1+
InChIKeyLMJYDRUEKRVCGB-HNQUOIGGSA-N
MW203.03 g/mol
LogP1.19
Rot. Bonds2

About (E)-3-bromoprop-1-ene-1-sulfonyl fluoride

(E)-3-bromoprop-1-ene-1-sulfonyl fluoride (PubChem CID 178200674) has the molecular formula C3H4BrFO2S and a molecular weight of 203.03 g/mol. Its IUPAC name is (E)-3-bromoprop-1-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Name(E)-3-bromoprop-1-ene-1-sulfonyl fluoride
PubChem CID178200674
Molecular FormulaC3H4BrFO2S
Molecular Weight203.03 g/mol
Exact Mass201.91
IUPAC Name(E)-3-bromoprop-1-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)/C=C/CBr
InChIInChI=1S/C3H4BrFO2S/c4-2-1-3-8(5,6)7/h1,3H,2H2/b3-1+
InChIKeyLMJYDRUEKRVCGB-HNQUOIGGSA-N
XLogP1.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 51.19
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 (E)-3-bromoprop-1-ene-1-sulfonyl fluoride?
The IUPAC name of (E)-3-bromoprop-1-ene-1-sulfonyl fluoride (CID 178200674) is (E)-3-bromoprop-1-ene-1-sulfonyl fluoride.
What is the SMILES notation for (E)-3-bromoprop-1-ene-1-sulfonyl fluoride?
The canonical SMILES for (E)-3-bromoprop-1-ene-1-sulfonyl fluoride is O=S(=O)(F)/C=C/CBr.
What is the InChIKey of (E)-3-bromoprop-1-ene-1-sulfonyl fluoride?
The InChIKey is LMJYDRUEKRVCGB-HNQUOIGGSA-N. The full InChI is InChI=1S/C3H4BrFO2S/c4-2-1-3-8(5,6)7/h1,3H,2H2/b3-1+.
What are the key properties of (E)-3-bromoprop-1-ene-1-sulfonyl fluoride?
(E)-3-bromoprop-1-ene-1-sulfonyl fluoride has a molecular weight of 203.03 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-bromoprop-1-ene-1-sulfonyl fluoride is sourced from PubChem (CID 178200674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).