methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate

C9H15FO4S — CID 165453361

IUPACmethyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CS(=O)(=O)F)CCCCC1
InChIInChI=1S/C9H15FO4S/c1-14-8(11)9(7-15(10,12)13)5-3-2-4-6-9/h2-7H2,1H3
InChIKeyHLLIPAVGJUILEJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.41
Rot. Bonds3

About methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate

methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate (PubChem CID 165453361) has the molecular formula C9H15FO4S and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate
PubChem CID165453361
Molecular FormulaC9H15FO4S
Molecular Weight238.28 g/mol
Exact Mass238.07
IUPAC Namemethyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CS(=O)(=O)F)CCCCC1
InChIInChI=1S/C9H15FO4S/c1-14-8(11)9(7-15(10,12)13)5-3-2-4-6-9/h2-7H2,1H3
InChIKeyHLLIPAVGJUILEJ-UHFFFAOYSA-N
XLogP1.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate (CID 165453361) is methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate is COC(=O)C1(CS(=O)(=O)F)CCCCC1.
What is the InChIKey of methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate?
The InChIKey is HLLIPAVGJUILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO4S/c1-14-8(11)9(7-15(10,12)13)5-3-2-4-6-9/h2-7H2,1H3.
What are the key properties of methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate?
methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate has a molecular weight of 238.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(fluorosulfonylmethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 165453361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).