[(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane

C15H20F3NOS — CID 132548452

IUPAC[(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
SMILESCCCCCC/C=C/N=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H20F3NOS/c1-2-3-4-5-6-10-13-19-21(20,15(16,17)18)14-11-8-7-9-12-14/h7-13H,2-6H2,1H3/b13-10+
InChIKeyCKAYOVOEYWNCFF-JLHYYAGUSA-N
MW319.39 g/mol
LogP5.52
Rot. Bonds7

About [(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane

[(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane (PubChem CID 132548452) has the molecular formula C15H20F3NOS and a molecular weight of 319.39 g/mol. Its IUPAC name is [(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane.

Molecular Properties

Compound Name[(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
PubChem CID132548452
Molecular FormulaC15H20F3NOS
Molecular Weight319.39 g/mol
Exact Mass319.12
IUPAC Name[(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane
SMILESCCCCCC/C=C/N=S(=O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H20F3NOS/c1-2-3-4-5-6-10-13-19-21(20,15(16,17)18)14-11-8-7-9-12-14/h7-13H,2-6H2,1H3/b13-10+
InChIKeyCKAYOVOEYWNCFF-JLHYYAGUSA-N
XLogP5.52
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.39
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-octadec-9-enyl] benzenesulfonate
CID 87391110
benzenesulfonyl icos-2-enoate
CID 142647317
N-[(Z)-non-1-enyl]benzenesulfonamide
CID 57205320
[(E)-1,1-difluorohept-2-enyl]sulfonylbenzene
CID 16744218
[triphenyl-[(E)-undec-2-enyl]-λ5-phosphanyl] trifluoromethanesulfonate
CID 134978514
[(E)-non-3-enyl] benzenesulfonate
CID 102487248
[(Z)-1-fluorooct-1-enyl]sulfonylbenzene
CID 23237157
benzenesulfonic acid;nonane
CID 158294552
(E)-1-(benzenesulfonyl)undec-4-en-3-one
CID 102247032
(4-octadecoxyphenyl)-diphenyl-(trifluoromethyl)-λ4-sulfane
CID 69116517
1-[11-(benzenesulfonamido)undec-5-enyl]-3-pentylurea
CID 77140945
(E)-3-(benzenesulfonyl)dec-4-enoic acid
CID 69261483

Frequently Asked Questions

What is the IUPAC name of [(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane?
The IUPAC name of [(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane (CID 132548452) is [(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane.
What is the SMILES notation for [(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane?
The canonical SMILES for [(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane is CCCCCC/C=C/N=S(=O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane?
The InChIKey is CKAYOVOEYWNCFF-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H20F3NOS/c1-2-3-4-5-6-10-13-19-21(20,15(16,17)18)14-11-8-7-9-12-14/h7-13H,2-6H2,1H3/b13-10+.
What are the key properties of [(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane?
[(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane has a molecular weight of 319.39 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-1-enyl]imino-oxo-phenyl-(trifluoromethyl)-λ6-sulfane is sourced from PubChem (CID 132548452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).