(E)-3-chloroprop-2-ene-1-sulfonyl fluoride

C3H4ClFO2S — CID 165453289

IUPAC(E)-3-chloroprop-2-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)C/C=C/Cl
InChIInChI=1S/C3H4ClFO2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1+
InChIKeyZBRDKNLUXHOARV-OWOJBTEDSA-N
MW158.58 g/mol
LogP1.04
Rot. Bonds2

About (E)-3-chloroprop-2-ene-1-sulfonyl fluoride

(E)-3-chloroprop-2-ene-1-sulfonyl fluoride (PubChem CID 165453289) has the molecular formula C3H4ClFO2S and a molecular weight of 158.58 g/mol. Its IUPAC name is (E)-3-chloroprop-2-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Name(E)-3-chloroprop-2-ene-1-sulfonyl fluoride
PubChem CID165453289
Molecular FormulaC3H4ClFO2S
Molecular Weight158.58 g/mol
Exact Mass157.96
IUPAC Name(E)-3-chloroprop-2-ene-1-sulfonyl fluoride
SMILESO=S(=O)(F)C/C=C/Cl
InChIInChI=1S/C3H4ClFO2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1+
InChIKeyZBRDKNLUXHOARV-OWOJBTEDSA-N
XLogP1.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.58
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloroprop-2-ene-1-sulfonyl chloride
CID 55280158
3-Chloroprop-1-ene-2-sulfonyl fluoride
CID 75480352
CID 168158763
CID 168158763
2-Chloroprop-2-ene-1-sulfonyl fluoride
CID 165749827
(Z)-3-chloroprop-2-ene-1-sulfonamide
CID 11094865
(E)-3-chloroprop-2-ene-1-sulfonic acid
CID 11105607
1-Chloroprop-2-ene-1-sulfonic acid
CID 20364287
1-Chloroprop-2-ene-1-sulfonyl chloride
CID 21419212
3-Chloroprop-2-ene-1-sulfonic acid
CID 54527472
3-Chloroprop-2-ene-1-sulfinate
CID 57255098
CID 76223160
CID 76223160
Sodium 1-chloroprop-2-ene-1-sulfonate
CID 87991938

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloroprop-2-ene-1-sulfonyl fluoride?
The IUPAC name of (E)-3-chloroprop-2-ene-1-sulfonyl fluoride (CID 165453289) is (E)-3-chloroprop-2-ene-1-sulfonyl fluoride.
What is the SMILES notation for (E)-3-chloroprop-2-ene-1-sulfonyl fluoride?
The canonical SMILES for (E)-3-chloroprop-2-ene-1-sulfonyl fluoride is O=S(=O)(F)C/C=C/Cl.
What is the InChIKey of (E)-3-chloroprop-2-ene-1-sulfonyl fluoride?
The InChIKey is ZBRDKNLUXHOARV-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H4ClFO2S/c4-2-1-3-8(5,6)7/h1-2H,3H2/b2-1+.
What are the key properties of (E)-3-chloroprop-2-ene-1-sulfonyl fluoride?
(E)-3-chloroprop-2-ene-1-sulfonyl fluoride has a molecular weight of 158.58 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloroprop-2-ene-1-sulfonyl fluoride is sourced from PubChem (CID 165453289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).