N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide

C11H20F3NO2S — CID 138980190

IUPACN-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC[C@H](CCC(C)=C(C)C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2S/c1-5-10(7-6-9(4)8(2)3)15-18(16,17)11(12,13)14/h10,15H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyXWCBVJNHJZPQDK-SNVBAGLBSA-N
MW287.35 g/mol
LogP3.34
Rot. Bonds6

About N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide

N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 138980190) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID138980190
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC NameN-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC[C@H](CCC(C)=C(C)C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2S/c1-5-10(7-6-9(4)8(2)3)15-18(16,17)11(12,13)14/h10,15H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyXWCBVJNHJZPQDK-SNVBAGLBSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.34
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-[(3R)-1-(cyclohexen-1-yl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 138980335

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide (CID 138980190) is N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide is CC[C@H](CCC(C)=C(C)C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is XWCBVJNHJZPQDK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-5-10(7-6-9(4)8(2)3)15-18(16,17)11(12,13)14/h10,15H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide?
N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 287.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6,7-dimethyloct-6-en-3-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 138980190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).