1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide

C7H10F3NO2S — CID 86204609

IUPAC1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide
SMILESC=C=CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2S/c1-2-3-4-5-6-11-14(12,13)7(8,9)10/h3,11H,1,4-6H2
InChIKeyBCGWATZHWDRKLN-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.55
Rot. Bonds5

About 1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide

1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide (PubChem CID 86204609) has the molecular formula C7H10F3NO2S and a molecular weight of 229.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide
PubChem CID86204609
Molecular FormulaC7H10F3NO2S
Molecular Weight229.22 g/mol
Exact Mass229.04
IUPAC Name1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide
SMILESC=C=CCCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2S/c1-2-3-4-5-6-11-14(12,13)7(8,9)10/h3,11H,1,4-6H2
InChIKeyBCGWATZHWDRKLN-UHFFFAOYSA-N
XLogP1.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide 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-hexa-4,5-dienylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide (CID 86204609) is 1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide is C=C=CCCCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide?
The InChIKey is BCGWATZHWDRKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2S/c1-2-3-4-5-6-11-14(12,13)7(8,9)10/h3,11H,1,4-6H2.
What are the key properties of 1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide?
1,1,1-trifluoro-N-hexa-4,5-dienylmethanesulfonamide has a molecular weight of 229.22 g/mol, XLogP of 1.55, 5 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-hexa-4,5-dienylmethanesulfonamide is sourced from PubChem (CID 86204609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).