(3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene

C11H17F3O2S — CID 15261380

IUPAC(3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene
SMILESC=C/C(=C\S(=O)(=O)C(F)(F)F)CCCCCC
InChIInChI=1S/C11H17F3O2S/c1-3-5-6-7-8-10(4-2)9-17(15,16)11(12,13)14/h4,9H,2-3,5-8H2,1H3/b10-9+
InChIKeyXERYXPUSWAYZLD-MDZDMXLPSA-N
MW270.32 g/mol
LogP3.96
Rot. Bonds7

About (3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene

(3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene (PubChem CID 15261380) has the molecular formula C11H17F3O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is (3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene.

Molecular Properties

Compound Name(3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene
PubChem CID15261380
Molecular FormulaC11H17F3O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name(3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene
SMILESC=C/C(=C\S(=O)(=O)C(F)(F)F)CCCCCC
InChIInChI=1S/C11H17F3O2S/c1-3-5-6-7-8-10(4-2)9-17(15,16)11(12,13)14/h4,9H,2-3,5-8H2,1H3/b10-9+
InChIKeyXERYXPUSWAYZLD-MDZDMXLPSA-N
XLogP3.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(trifluoromethylsulfonylmethylidene)non-1-ene
CID 101990457
trimethyl-[(E,3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-enyl]silane
CID 101990458
tributyl-[(E,3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-enyl]stannane
CID 177604230
1-(Trifluoromethylsulfonyl)octadec-1-ene
CID 173286098
(E)-1-(trifluoromethylsulfonyl)hept-1-ene
CID 11075213
(Z)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene
CID 15271926
(E)-1-(trifluoromethylsulfonyl)undec-1-ene
CID 15504451
(E)-2-methyl-1-(trifluoromethylsulfonyl)oct-1-ene
CID 102062294

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene?
The IUPAC name of (3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene (CID 15261380) is (3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene.
What is the SMILES notation for (3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene?
The canonical SMILES for (3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene is C=C/C(=C\S(=O)(=O)C(F)(F)F)CCCCCC.
What is the InChIKey of (3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene?
The InChIKey is XERYXPUSWAYZLD-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H17F3O2S/c1-3-5-6-7-8-10(4-2)9-17(15,16)11(12,13)14/h4,9H,2-3,5-8H2,1H3/b10-9+.
What are the key properties of (3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene?
(3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene has a molecular weight of 270.32 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(trifluoromethylsulfonylmethylidene)non-1-ene is sourced from PubChem (CID 15261380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).