N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide

C8H10F3NO2S — CID 23546520

IUPACN-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C8H10F3NO2S/c9-8(10,11)15(13,14)12-7-4-5-1-2-6(7)3-5/h1-2,5-7,12H,3-4H2
InChIKeyDPDZCXWAZNQZCY-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.39
Rot. Bonds2

About N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide

N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 23546520) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID23546520
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C8H10F3NO2S/c9-8(10,11)15(13,14)12-7-4-5-1-2-6(7)3-5/h1-2,5-7,12H,3-4H2
InChIKeyDPDZCXWAZNQZCY-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Bicyclo[2.2.1]hepta-5-ene-2-yl)methyl]trifluoromethanesulfonamide
CID 15759318
N-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-1,1,1-trifluoromethanesulfonamide
CID 24897460
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 24897461
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 59169057
N-(1-bicyclo[2.2.1]hept-2-enylmethyl)-1,1,1-trifluoromethanesulfonamide
CID 68583721
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 69224556
N-(cyclohex-2-en-1-ylmethyl)-1,1,1-trifluoromethanesulfonamide
CID 71042682
N-(2-cyclohex-3-en-1-ylethyl)-1,1,1-trifluoromethanesulfonamide
CID 71136950
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 87415339
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 87415340
N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 87415341
N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 88074449

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide (CID 23546520) is N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DPDZCXWAZNQZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c9-8(10,11)15(13,14)12-7-4-5-1-2-6(7)3-5/h1-2,5-7,12H,3-4H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 241.23 g/mol, XLogP of 1.39, 2 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-enyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 23546520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).