methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate

C9H14F3NO4S — CID 103342260

IUPACmethyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H14F3NO4S/c1-17-8(14)6-3-2-4-7(6)18(15,16)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyWCOZEVNRDZHBJF-UHFFFAOYSA-N
MW289.28 g/mol
LogP0.81
Rot. Bonds4

About methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103342260) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103342260
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Namemethyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H14F3NO4S/c1-17-8(14)6-3-2-4-7(6)18(15,16)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyWCOZEVNRDZHBJF-UHFFFAOYSA-N
XLogP0.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate (CID 103342260) is methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is WCOZEVNRDZHBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c1-17-8(14)6-3-2-4-7(6)18(15,16)13-5-9(10,11)12/h6-7,13H,2-5H2,1H3.
What are the key properties of methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 289.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,2-trifluoroethylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103342260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).