1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide

C8H10F3NO2S — CID 86049844

IUPAC1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide
SMILESC=C(C)C#CCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO2S/c1-7(2)5-3-4-6-12-15(13,14)8(9,10)11/h12H,1,4,6H2,2H3
InChIKeyWYJJGKWZCNLHHZ-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.40
Rot. Bonds3

About 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide

1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide (PubChem CID 86049844) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide
PubChem CID86049844
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Name1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide
SMILESC=C(C)C#CCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO2S/c1-7(2)5-3-4-6-12-15(13,14)8(9,10)11/h12H,1,4,6H2,2H3
InChIKeyWYJJGKWZCNLHHZ-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide (CID 86049844) is 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide is C=C(C)C#CCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide?
The InChIKey is WYJJGKWZCNLHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c1-7(2)5-3-4-6-12-15(13,14)8(9,10)11/h12H,1,4,6H2,2H3.
What are the key properties of 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide?
1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide has a molecular weight of 241.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(5-methylhex-5-en-3-ynyl)methanesulfonamide is sourced from PubChem (CID 86049844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).