2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate

C10H12F3NO4S — CID 159476126

IUPAC2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)C(F)(F)F)OC1CC2C=CC1C2
InChIInChI=1S/C10H12F3NO4S/c11-10(12,13)19(16,17)14-5-9(15)18-8-4-6-1-2-7(8)3-6/h1-2,6-8,14H,3-5H2
InChIKeyLWKCEQOXLHTZGY-UHFFFAOYSA-N
MW299.27 g/mol
LogP0.93
Rot. Bonds4

About 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate

2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate (PubChem CID 159476126) has the molecular formula C10H12F3NO4S and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate
PubChem CID159476126
Molecular FormulaC10H12F3NO4S
Molecular Weight299.27 g/mol
Exact Mass299.04
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate
SMILESO=C(CNS(=O)(=O)C(F)(F)F)OC1CC2C=CC1C2
InChIInChI=1S/C10H12F3NO4S/c11-10(12,13)19(16,17)14-5-9(15)18-8-4-6-1-2-7(8)3-6/h1-2,6-8,14H,3-5H2
InChIKeyLWKCEQOXLHTZGY-UHFFFAOYSA-N
XLogP0.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 99134593
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;chloromethane
CID 160966528
1-O-(2-bicyclo[2.2.1]hept-5-enyl) 3-O-(1-hydroxy-2,2-dimethylpropyl) propanedioate
CID 22616782
2-bicyclo[2.2.1]hept-5-enyl methyl carbonate
CID 19379180
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl] acetate
CID 1268036
N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 87415341
3-(2-bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butan-2-ol
CID 58743430
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl] formate
CID 101061525
3-O-(2-bicyclo[2.2.2]oct-5-enyl) 1-O-(2,2-dimethylpropyl) propanedioate
CID 22616778
2-(2-bicyclo[2.2.1]hept-5-enyloxycarbonyl)-2-tert-butyl-4,4-dimethylpentanoic acid
CID 70171693
5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxybicyclo[2.2.1]hept-2-ene
CID 102594862
(5S)-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propoxy]bicyclo[2.2.1]hept-2-ene
CID 59080048

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate (CID 159476126) is 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate is O=C(CNS(=O)(=O)C(F)(F)F)OC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate?
The InChIKey is LWKCEQOXLHTZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S/c11-10(12,13)19(16,17)14-5-9(15)18-8-4-6-1-2-7(8)3-6/h1-2,6-8,14H,3-5H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate?
2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate has a molecular weight of 299.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl 2-(trifluoromethylsulfonylamino)acetate is sourced from PubChem (CID 159476126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).