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

C10H14F3NO2S — CID 24897461

IUPACN-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C10H14F3NO2S/c11-10(12,13)17(15,16)14-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9,14H,3-6H2
InChIKeyFFLKFEJGLNNMRK-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.03
Rot. Bonds4

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

N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 24897461) has the molecular formula C10H14F3NO2S and a molecular weight of 269.29 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID24897461
Molecular FormulaC10H14F3NO2S
Molecular Weight269.29 g/mol
Exact Mass269.07
IUPAC NameN-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C10H14F3NO2S/c11-10(12,13)17(15,16)14-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9,14H,3-6H2
InChIKeyFFLKFEJGLNNMRK-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide (CID 24897461) is N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCCC1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is FFLKFEJGLNNMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2S/c11-10(12,13)17(15,16)14-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9,14H,3-6H2.
What are the key properties of N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 269.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 24897461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).