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

C10H14F3NO2S — CID 69224556

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(NS(=O)(=O)C(F)(F)F)C1CC2C=CC1C2
InChIInChI=1S/C10H14F3NO2S/c1-6(14-17(15,16)10(11,12)13)9-5-7-2-3-8(9)4-7/h2-3,6-9,14H,4-5H2,1H3
InChIKeyFGSZYRYFBNELIY-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.03
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 69224556) has the molecular formula C10H14F3NO2S and a molecular weight of 269.29 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID69224556
Molecular FormulaC10H14F3NO2S
Molecular Weight269.29 g/mol
Exact Mass269.07
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(NS(=O)(=O)C(F)(F)F)C1CC2C=CC1C2
InChIInChI=1S/C10H14F3NO2S/c1-6(14-17(15,16)10(11,12)13)9-5-7-2-3-8(9)4-7/h2-3,6-9,14H,4-5H2,1H3
InChIKeyFGSZYRYFBNELIY-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide (CID 69224556) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide is CC(NS(=O)(=O)C(F)(F)F)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is FGSZYRYFBNELIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2S/c1-6(14-17(15,16)10(11,12)13)9-5-7-2-3-8(9)4-7/h2-3,6-9,14H,4-5H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[1-(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, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 69224556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).