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

C9H14F3NO5S — CID 103343322

IUPACmethyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C9H14F3NO5S/c1-17-8(14)6-3-2-4-7(6)19(15,16)13-18-5-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyKGIHLFKTBONJQQ-UHFFFAOYSA-N
MW305.27 g/mol
LogP0.74
Rot. Bonds5

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

methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103343322) has the molecular formula C9H14F3NO5S and a molecular weight of 305.27 g/mol. Its IUPAC name is methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate
PubChem CID103343322
Molecular FormulaC9H14F3NO5S
Molecular Weight305.27 g/mol
Exact Mass305.05
IUPAC Namemethyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C9H14F3NO5S/c1-17-8(14)6-3-2-4-7(6)19(15,16)13-18-5-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyKGIHLFKTBONJQQ-UHFFFAOYSA-N
XLogP0.74
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate (CID 103343322) is methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)NOCC(F)(F)F.
What is the InChIKey of methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is KGIHLFKTBONJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO5S/c1-17-8(14)6-3-2-4-7(6)19(15,16)13-18-5-9(10,11)12/h6-7,13H,2-5H2,1H3.
What are the key properties of methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(2,2,2-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 305.27 g/mol, XLogP of 0.74, 5 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-trifluoroethoxysulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103343322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).