1-(trifluoromethylsulfonyl)cyclooctene

C9H13F3O2S — CID 67359962

IUPAC1-(trifluoromethylsulfonyl)cyclooctene
SMILESO=S(=O)(C1=CCCCCCC1)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
InChIKeyNRPGSQFJISMVJO-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.16
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)cyclooctene

1-(trifluoromethylsulfonyl)cyclooctene (PubChem CID 67359962) has the molecular formula C9H13F3O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)cyclooctene.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)cyclooctene
PubChem CID67359962
Molecular FormulaC9H13F3O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC Name1-(trifluoromethylsulfonyl)cyclooctene
SMILESO=S(=O)(C1=CCCCCCC1)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
InChIKeyNRPGSQFJISMVJO-UHFFFAOYSA-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

CID 10900796
CID 10900796
CID 15504449
CID 15504449
CID 59365929
CID 59365929
CID 88929975
CID 88929975
CID 144013120
CID 144013120
CID 10911302
CID 10911302

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)cyclooctene?
The IUPAC name of 1-(trifluoromethylsulfonyl)cyclooctene (CID 67359962) is 1-(trifluoromethylsulfonyl)cyclooctene.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)cyclooctene?
The canonical SMILES for 1-(trifluoromethylsulfonyl)cyclooctene is O=S(=O)(C1=CCCCCCC1)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)cyclooctene?
The InChIKey is NRPGSQFJISMVJO-UHFFFAOYSA-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.
What are the key properties of 1-(trifluoromethylsulfonyl)cyclooctene?
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 1-(trifluoromethylsulfonyl)cyclooctene is sourced from PubChem (CID 67359962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).