3-methylcyclobutane-1-sulfonyl fluoride

C5H9FO2S — CID 139363290

IUPAC3-methylcyclobutane-1-sulfonyl fluoride
SMILESCC1CC(S(=O)(=O)F)C1
InChIInChI=1S/C5H9FO2S/c1-4-2-5(3-4)9(6,7)8/h4-5H,2-3H2,1H3
InChIKeyREKCOPPPFKDDAS-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.08
Rot. Bonds1

About 3-methylcyclobutane-1-sulfonyl fluoride

3-methylcyclobutane-1-sulfonyl fluoride (PubChem CID 139363290) has the molecular formula C5H9FO2S and a molecular weight of 152.19 g/mol. Its IUPAC name is 3-methylcyclobutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-methylcyclobutane-1-sulfonyl fluoride
PubChem CID139363290
Molecular FormulaC5H9FO2S
Molecular Weight152.19 g/mol
Exact Mass152.03
IUPAC Name3-methylcyclobutane-1-sulfonyl fluoride
SMILESCC1CC(S(=O)(=O)F)C1
InChIInChI=1S/C5H9FO2S/c1-4-2-5(3-4)9(6,7)8/h4-5H,2-3H2,1H3
InChIKeyREKCOPPPFKDDAS-UHFFFAOYSA-N
XLogP1.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbutane-1-sulfonyl fluoride
CID 22935853
2-Methylpentane-1-sulfonyl fluoride
CID 54593061
Cyclobutylmethanesulfonyl chloride
CID 55280140
2-Methylpropane-1-sulfonyl fluoride
CID 56604709
3-Methylcyclobutane-1-sulfonyl chloride
CID 103564836
(3-Fluorocyclobutyl)methanesulfonyl chloride
CID 126688657
(3-Methylcyclobutyl)methanesulfonyl chloride
CID 132342268
(3-Fluoro-3-methylcyclobutyl)methanesulfonyl chloride
CID 177183782
2-Ethylbutane-1-sulfonyl fluoride
CID 54593062
(3,3-Dimethylcyclobutyl)methanesulfonyl fluoride
CID 138989254
(2-Methylcyclopropyl)methanesulfonyl fluoride
CID 139022381
3-(fluoromethyl)cyclobutane-1-sulfonyl chloride, Mixture of diastereomers
CID 165947738

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclobutane-1-sulfonyl fluoride?
The IUPAC name of 3-methylcyclobutane-1-sulfonyl fluoride (CID 139363290) is 3-methylcyclobutane-1-sulfonyl fluoride.
What is the SMILES notation for 3-methylcyclobutane-1-sulfonyl fluoride?
The canonical SMILES for 3-methylcyclobutane-1-sulfonyl fluoride is CC1CC(S(=O)(=O)F)C1.
What is the InChIKey of 3-methylcyclobutane-1-sulfonyl fluoride?
The InChIKey is REKCOPPPFKDDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2S/c1-4-2-5(3-4)9(6,7)8/h4-5H,2-3H2,1H3.
What are the key properties of 3-methylcyclobutane-1-sulfonyl fluoride?
3-methylcyclobutane-1-sulfonyl fluoride has a molecular weight of 152.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclobutane-1-sulfonyl fluoride is sourced from PubChem (CID 139363290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).