methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate

C11H18F3NO5S — CID 103343039

IUPACmethyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H18F3NO5S/c1-19-10(16)8-3-2-4-9(8)21(17,18)15-5-6-20-7-11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyUVQBOKVXQWRHMY-UHFFFAOYSA-N
MW333.33 g/mol
LogP0.83
Rot. Bonds7

About methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate

methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343039) has the molecular formula C11H18F3NO5S and a molecular weight of 333.33 g/mol. Its IUPAC name is methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343039
Molecular FormulaC11H18F3NO5S
Molecular Weight333.33 g/mol
Exact Mass333.09
IUPAC Namemethyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H18F3NO5S/c1-19-10(16)8-3-2-4-9(8)21(17,18)15-5-6-20-7-11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyUVQBOKVXQWRHMY-UHFFFAOYSA-N
XLogP0.83
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate (CID 103343039) is methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is UVQBOKVXQWRHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO5S/c1-19-10(16)8-3-2-4-9(8)21(17,18)15-5-6-20-7-11(12,13)14/h8-9,15H,2-7H2,1H3.
What are the key properties of methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 333.33 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).