N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide

C11H18F3NO2S — CID 71815919

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)=CCC/C(C)=C/CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO2S/c1-9(2)5-4-6-10(3)7-8-15-18(16,17)11(12,13)14/h5,7,15H,4,6,8H2,1-3H3/b10-7+
InChIKeyYDPXGTFAUCHTQV-JXMROGBWSA-N
MW285.33 g/mol
LogP3.12
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 71815919) has the molecular formula C11H18F3NO2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID71815919
Molecular FormulaC11H18F3NO2S
Molecular Weight285.33 g/mol
Exact Mass285.10
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC(C)=CCC/C(C)=C/CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO2S/c1-9(2)5-4-6-10(3)7-8-15-18(16,17)11(12,13)14/h5,7,15H,4,6,8H2,1-3H3/b10-7+
InChIKeyYDPXGTFAUCHTQV-JXMROGBWSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.12
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

(1E)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide
CID 56942414
(1Z)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide
CID 56942559
2,6-dimethyl-N-(2,2,2-trifluoroethyl)hepta-1,5-diene-1-sulfonamide
CID 76468763
4-Methylpent-3-en-2-amine;trifluoromethanesulfonamide
CID 87993169
1,1,1-trifluoro-N-[(E)-3,7,7-trimethyloct-2-enyl]methanesulfonamide
CID 146384511
N-(2-ethylcyclohepta-2,6-dien-4-yn-1-yl)-1,1,1-trifluoromethanesulfonamide
CID 163737414
1,1,1-trifluoro-N-[(Z)-2-methyl-2-[(Z)-prop-1-enyl]pent-3-enyl]methanesulfonamide
CID 163881456
1,1,1-trifluoro-N-[(E)-3-triethylgermylpent-3-enyl]methanesulfonamide
CID 122366096
(E)-N-(3,7-dimethylocta-2,6-dien-1-yl)methanesulfonamide
CID 15641109
N-(3,7-dimethylocta-2,6-dienyl)methanesulfonamide
CID 123181161

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide (CID 71815919) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide is CC(C)=CCC/C(C)=C/CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is YDPXGTFAUCHTQV-JXMROGBWSA-N. The full InChI is InChI=1S/C11H18F3NO2S/c1-9(2)5-4-6-10(3)7-8-15-18(16,17)11(12,13)14/h5,7,15H,4,6,8H2,1-3H3/b10-7+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 285.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 71815919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).