2-(trifluoromethylsulfonyl)undec-1-ene

C12H21F3O2S — CID 15504452

IUPAC2-(trifluoromethylsulfonyl)undec-1-ene
SMILESC=C(CCCCCCCCC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H21F3O2S/c1-3-4-5-6-7-8-9-10-11(2)18(16,17)12(13,14)15/h2-10H2,1H3
InChIKeyBRWLHVYLLTZNBS-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.58
Rot. Bonds9

About 2-(trifluoromethylsulfonyl)undec-1-ene

2-(trifluoromethylsulfonyl)undec-1-ene (PubChem CID 15504452) has the molecular formula C12H21F3O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonyl)undec-1-ene.

Molecular Properties

Compound Name2-(trifluoromethylsulfonyl)undec-1-ene
PubChem CID15504452
Molecular FormulaC12H21F3O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name2-(trifluoromethylsulfonyl)undec-1-ene
SMILESC=C(CCCCCCCCC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H21F3O2S/c1-3-4-5-6-7-8-9-10-11(2)18(16,17)12(13,14)15/h2-10H2,1H3
InChIKeyBRWLHVYLLTZNBS-UHFFFAOYSA-N
XLogP4.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.58
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

5-(1,1-Difluorobut-3-enylsulfonyl)nona-1,8-diene
CID 21357091
6,6,7,7,7-Pentafluoro-2-(6,6,7,7,7-pentafluorohept-1-en-2-ylsulfonyl)hept-1-ene
CID 53717065
7-(Trifluoromethylsulfonyl)oct-1-ene
CID 87831649
12,12,12-Trifluoro-11-(trifluoromethylsulfonyl)dodec-1-ene
CID 118400684
10-(Trifluoromethylsulfonyl)dec-1-ene
CID 140564305

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonyl)undec-1-ene?
The IUPAC name of 2-(trifluoromethylsulfonyl)undec-1-ene (CID 15504452) is 2-(trifluoromethylsulfonyl)undec-1-ene.
What is the SMILES notation for 2-(trifluoromethylsulfonyl)undec-1-ene?
The canonical SMILES for 2-(trifluoromethylsulfonyl)undec-1-ene is C=C(CCCCCCCCC)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonyl)undec-1-ene?
The InChIKey is BRWLHVYLLTZNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O2S/c1-3-4-5-6-7-8-9-10-11(2)18(16,17)12(13,14)15/h2-10H2,1H3.
What are the key properties of 2-(trifluoromethylsulfonyl)undec-1-ene?
2-(trifluoromethylsulfonyl)undec-1-ene has a molecular weight of 286.36 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonyl)undec-1-ene is sourced from PubChem (CID 15504452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).