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

C11H16F3NO2S — CID 59169057

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(CC1CC2C=CC1C2)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO2S/c1-7(15-18(16,17)11(12,13)14)4-10-6-8-2-3-9(10)5-8/h2-3,7-10,15H,4-6H2,1H3
InChIKeyLOJCSORFSVAPHA-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.42
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 59169057) has the molecular formula C11H16F3NO2S and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID59169057
Molecular FormulaC11H16F3NO2S
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(CC1CC2C=CC1C2)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO2S/c1-7(15-18(16,17)11(12,13)14)4-10-6-8-2-3-9(10)5-8/h2-3,7-10,15H,4-6H2,1H3
InChIKeyLOJCSORFSVAPHA-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.42
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)propan-2-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide (CID 59169057) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide is CC(CC1CC2C=CC1C2)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is LOJCSORFSVAPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2S/c1-7(15-18(16,17)11(12,13)14)4-10-6-8-2-3-9(10)5-8/h2-3,7-10,15H,4-6H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 283.32 g/mol, XLogP of 2.42, 4 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)propan-2-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 59169057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).