2-methylsulfonylcyclopropane-1-sulfonyl fluoride

C4H7FO4S2 — CID 139363190

IUPAC2-methylsulfonylcyclopropane-1-sulfonyl fluoride
SMILESCS(=O)(=O)C1CC1S(=O)(=O)F
InChIInChI=1S/C4H7FO4S2/c1-10(6,7)3-2-4(3)11(5,8)9/h3-4H,2H2,1H3
InChIKeyCHGDVAFTMWPVNP-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.53
Rot. Bonds2

About 2-methylsulfonylcyclopropane-1-sulfonyl fluoride

2-methylsulfonylcyclopropane-1-sulfonyl fluoride (PubChem CID 139363190) has the molecular formula C4H7FO4S2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-methylsulfonylcyclopropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-methylsulfonylcyclopropane-1-sulfonyl fluoride
PubChem CID139363190
Molecular FormulaC4H7FO4S2
Molecular Weight202.23 g/mol
Exact Mass201.98
IUPAC Name2-methylsulfonylcyclopropane-1-sulfonyl fluoride
SMILESCS(=O)(=O)C1CC1S(=O)(=O)F
InChIInChI=1S/C4H7FO4S2/c1-10(6,7)3-2-4(3)11(5,8)9/h3-4H,2H2,1H3
InChIKeyCHGDVAFTMWPVNP-UHFFFAOYSA-N
XLogP-0.53
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-1-methyl-2-methylsulfonylcyclopropane
CID 89002807
(2R,3S)-2-methyl-3-methylsulfonylazetidine
CID 175984932
2-methyloxolane-3-sulfonyl fluoride
CID 165460627
N-methyl-2-methylsulfonylcyclopropan-1-amine
CID 129191618
trans-(1R,2R)-1-fluoro-2-methylsulfonylcyclohexane
CID 15122106
cis-(1R,2S)-2-methylsulfonylcyclopropane-1-carbonitrile
CID 99990540
cis-methyl (1S,2S)-2-fluorosulfonylcyclobutane-1-carboxylate
CID 165459369
1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene
CID 102548747
lithium;hydride;methanesulfonyl fluoride
CID 175576597
trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride
CID 155978246
2-methylcyclopropane-1-sulfonic acid
CID 174740813
bicyclo[3.1.0]hexane-3-sulfonyl fluoride
CID 165452681

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylcyclopropane-1-sulfonyl fluoride?
The IUPAC name of 2-methylsulfonylcyclopropane-1-sulfonyl fluoride (CID 139363190) is 2-methylsulfonylcyclopropane-1-sulfonyl fluoride.
What is the SMILES notation for 2-methylsulfonylcyclopropane-1-sulfonyl fluoride?
The canonical SMILES for 2-methylsulfonylcyclopropane-1-sulfonyl fluoride is CS(=O)(=O)C1CC1S(=O)(=O)F.
What is the InChIKey of 2-methylsulfonylcyclopropane-1-sulfonyl fluoride?
The InChIKey is CHGDVAFTMWPVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO4S2/c1-10(6,7)3-2-4(3)11(5,8)9/h3-4H,2H2,1H3.
What are the key properties of 2-methylsulfonylcyclopropane-1-sulfonyl fluoride?
2-methylsulfonylcyclopropane-1-sulfonyl fluoride has a molecular weight of 202.23 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylcyclopropane-1-sulfonyl fluoride is sourced from PubChem (CID 139363190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).