2-methylprop-1-ene-1-sulfonyl fluoride

C4H7FO2S — CID 88781101

IUPAC2-methylprop-1-ene-1-sulfonyl fluoride
SMILESCC(C)=CS(=O)(=O)F
InChIInChI=1S/C4H7FO2S/c1-4(2)3-8(5,6)7/h3H,1-2H3
InChIKeyATWLTCINWYOQDW-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.21
Rot. Bonds1

About 2-methylprop-1-ene-1-sulfonyl fluoride

2-methylprop-1-ene-1-sulfonyl fluoride (PubChem CID 88781101) has the molecular formula C4H7FO2S and a molecular weight of 138.16 g/mol. Its IUPAC name is 2-methylprop-1-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-methylprop-1-ene-1-sulfonyl fluoride
PubChem CID88781101
Molecular FormulaC4H7FO2S
Molecular Weight138.16 g/mol
Exact Mass138.02
IUPAC Name2-methylprop-1-ene-1-sulfonyl fluoride
SMILESCC(C)=CS(=O)(=O)F
InChIInChI=1S/C4H7FO2S/c1-4(2)3-8(5,6)7/h3H,1-2H3
InChIKeyATWLTCINWYOQDW-UHFFFAOYSA-N
XLogP1.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sodium methallylsulfonate
CID 23663624
2-Methylprop-2-ene-1-sulfonyl chloride
CID 12186909
2-Propene-1-sulfonic acid, 2-methyl-, ion(1-)
CID 3262020
2-Methylprop-2-ene-1-sulfonyl fluoride
CID 12186910
Sodium isobutylene sulfonate
CID 101640369
2-Methylprop-2-ene-1-sulfinyl fluoride
CID 119095697
3-Methylbut-3-ene-1-sulfonyl fluoride
CID 165605844
3-Methylbut-3-ene-2-sulfonyl fluoride
CID 165745331
2-Methylprop-2-ene-1-sulfinate
CID 5035958
1-(Methanesulfonyl)-2-methylprop-1-ene
CID 13264619
2-Methylprop-1-ene-1-sulfonyl chloride
CID 18354752
2-Methylprop-1-ene-1-sulfinate
CID 20343128

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene-1-sulfonyl fluoride?
The IUPAC name of 2-methylprop-1-ene-1-sulfonyl fluoride (CID 88781101) is 2-methylprop-1-ene-1-sulfonyl fluoride.
What is the SMILES notation for 2-methylprop-1-ene-1-sulfonyl fluoride?
The canonical SMILES for 2-methylprop-1-ene-1-sulfonyl fluoride is CC(C)=CS(=O)(=O)F.
What is the InChIKey of 2-methylprop-1-ene-1-sulfonyl fluoride?
The InChIKey is ATWLTCINWYOQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2S/c1-4(2)3-8(5,6)7/h3H,1-2H3.
What are the key properties of 2-methylprop-1-ene-1-sulfonyl fluoride?
2-methylprop-1-ene-1-sulfonyl fluoride has a molecular weight of 138.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene-1-sulfonyl fluoride is sourced from PubChem (CID 88781101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).