(1E)-1-(trifluoromethylsulfonyl)cyclooctene

C9H13F3O2S — CID 10900796

IUPAC(1E)-1-(trifluoromethylsulfonyl)cyclooctene
SMILESO=S(=O)(/C1=C/CCCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F3O2S/c10-9(11,12)15(13,14)8-6-4-2-1-3-5-7-8/h6H,1-5,7H2/b8-6+
InChIKeyNRPGSQFJISMVJO-SOFGYWHQSA-N
MW242.26 g/mol
LogP3.16
Rot. Bonds1

About (1E)-1-(trifluoromethylsulfonyl)cyclooctene

(1E)-1-(trifluoromethylsulfonyl)cyclooctene (PubChem CID 10900796) has the molecular formula C9H13F3O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is (1E)-1-(trifluoromethylsulfonyl)cyclooctene.

Molecular Properties

Compound Name(1E)-1-(trifluoromethylsulfonyl)cyclooctene
PubChem CID10900796
Molecular FormulaC9H13F3O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC Name(1E)-1-(trifluoromethylsulfonyl)cyclooctene
SMILESO=S(=O)(/C1=C/CCCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F3O2S/c10-9(11,12)15(13,14)8-6-4-2-1-3-5-7-8/h6H,1-5,7H2/b8-6+
InChIKeyNRPGSQFJISMVJO-SOFGYWHQSA-N
XLogP3.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Trifluoromethanesulfonyl)cyclohex-1-ene
CID 15504449
1-(Trifluoromethylsulfonyl)cycloheptene
CID 59365929
1-Cycloocten-1-yl trifluoromethyl sulfone
CID 67359962
(E)-2-(trifluoromethylsulfonyl)hept-2-ene
CID 88929975
1-(Trifluoromethylsulfinyl)cycloheptene
CID 144013120
1-(Trifluoromethylsulfonylmethyl)cyclohexene
CID 10911302

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(trifluoromethylsulfonyl)cyclooctene?
The IUPAC name of (1E)-1-(trifluoromethylsulfonyl)cyclooctene (CID 10900796) is (1E)-1-(trifluoromethylsulfonyl)cyclooctene.
What is the SMILES notation for (1E)-1-(trifluoromethylsulfonyl)cyclooctene?
The canonical SMILES for (1E)-1-(trifluoromethylsulfonyl)cyclooctene is O=S(=O)(/C1=C/CCCCCC1)C(F)(F)F.
What is the InChIKey of (1E)-1-(trifluoromethylsulfonyl)cyclooctene?
The InChIKey is NRPGSQFJISMVJO-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H13F3O2S/c10-9(11,12)15(13,14)8-6-4-2-1-3-5-7-8/h6H,1-5,7H2/b8-6+.
What are the key properties of (1E)-1-(trifluoromethylsulfonyl)cyclooctene?
(1E)-1-(trifluoromethylsulfonyl)cyclooctene has a molecular weight of 242.26 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(trifluoromethylsulfonyl)cyclooctene is sourced from PubChem (CID 10900796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).