N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide

C10H12F5NO2S — CID 87415339

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESO=S(=O)(NCC1CC2C=CC1C2)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5NO2S/c11-9(12,13)10(14,15)19(17,18)16-5-8-4-6-1-2-7(8)3-6/h1-2,6-8,16H,3-5H2
InChIKeyOHZYNRGKHKZRKH-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.27
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 87415339) has the molecular formula C10H12F5NO2S and a molecular weight of 305.27 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID87415339
Molecular FormulaC10H12F5NO2S
Molecular Weight305.27 g/mol
Exact Mass305.05
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESO=S(=O)(NCC1CC2C=CC1C2)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F5NO2S/c11-9(12,13)10(14,15)19(17,18)16-5-8-4-6-1-2-7(8)3-6/h1-2,6-8,16H,3-5H2
InChIKeyOHZYNRGKHKZRKH-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide (CID 87415339) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide is O=S(=O)(NCC1CC2C=CC1C2)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is OHZYNRGKHKZRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F5NO2S/c11-9(12,13)10(14,15)19(17,18)16-5-8-4-6-1-2-7(8)3-6/h1-2,6-8,16H,3-5H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 305.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 87415339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).