methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate

C7H10ClFO4S — CID 119031495

IUPACmethyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(F)(CS(=O)(=O)Cl)C1
InChIInChI=1S/C7H10ClFO4S/c1-13-6(10)5-2-7(9,3-5)4-14(8,11)12/h5H,2-4H2,1H3
InChIKeyNJJYKBBAXBGEPK-UHFFFAOYSA-N
MW244.67 g/mol
LogP0.85
Rot. Bonds3

About methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate

methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate (PubChem CID 119031495) has the molecular formula C7H10ClFO4S and a molecular weight of 244.67 g/mol. Its IUPAC name is methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate
PubChem CID119031495
Molecular FormulaC7H10ClFO4S
Molecular Weight244.67 g/mol
Exact Mass244.00
IUPAC Namemethyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(F)(CS(=O)(=O)Cl)C1
InChIInChI=1S/C7H10ClFO4S/c1-13-6(10)5-2-7(9,3-5)4-14(8,11)12/h5H,2-4H2,1H3
InChIKeyNJJYKBBAXBGEPK-UHFFFAOYSA-N
XLogP0.85
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1R,3R)-3-(chlorosulfonyl)cyclobutane-1-carboxylate
CID 61726044
rac-methyl (1R,2R)-2-(chlorosulfonyl)cyclobutane-1-carboxylate
CID 97960493
Methyl 1-((chlorosulfonyl)methyl)cyclobutane-1-carboxylate
CID 119030843
Methyl 1-(chlorosulfonyl)cyclobutane-1-carboxylate
CID 122163353
rac-methyl (1R,2S)-2-[(chlorosulfonyl)methyl]cyclopropane-1-carboxylate
CID 132342183
Ethyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate
CID 137943808
Methyl 2-cyclopropyl-2-sulfoacetate
CID 138991376
Methyl 1-[(chlorosulfonyl)methyl]-3,3-difluorocyclobutane-1-carboxylate
CID 155820749
Methyl 2-[3-(chlorosulfonyl)cyclobutyl]acetate
CID 165605126
3-Fluoro-1-methoxy-4-methyl-1-oxopentane-3-sulfonic acid
CID 139293479
3-Fluoropropylsulfonyl 4-methylpentanoate
CID 174660150
3-(Chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylic acid
CID 130715577

Frequently Asked Questions

What is the IUPAC name of methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate?
The IUPAC name of methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate (CID 119031495) is methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate is COC(=O)C1CC(F)(CS(=O)(=O)Cl)C1.
What is the InChIKey of methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate?
The InChIKey is NJJYKBBAXBGEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFO4S/c1-13-6(10)5-2-7(9,3-5)4-14(8,11)12/h5H,2-4H2,1H3.
What are the key properties of methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate?
methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate has a molecular weight of 244.67 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate is sourced from PubChem (CID 119031495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).