1-(trifluoromethylsulfonyl)cycloheptene

C8H11F3O2S — CID 59365929

IUPAC1-(trifluoromethylsulfonyl)cycloheptene
SMILESO=S(=O)(C1=CCCCCC1)C(F)(F)F
InChIInChI=1S/C8H11F3O2S/c9-8(10,11)14(12,13)7-5-3-1-2-4-6-7/h5H,1-4,6H2
InChIKeyZMFHVCOCSSNLPF-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.77
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)cycloheptene

1-(trifluoromethylsulfonyl)cycloheptene (PubChem CID 59365929) has the molecular formula C8H11F3O2S and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)cycloheptene.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)cycloheptene
PubChem CID59365929
Molecular FormulaC8H11F3O2S
Molecular Weight228.23 g/mol
Exact Mass228.04
IUPAC Name1-(trifluoromethylsulfonyl)cycloheptene
SMILESO=S(=O)(C1=CCCCCC1)C(F)(F)F
InChIInChI=1S/C8H11F3O2S/c9-8(10,11)14(12,13)7-5-3-1-2-4-6-7/h5H,1-4,6H2
InChIKeyZMFHVCOCSSNLPF-UHFFFAOYSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)cycloheptene?
The IUPAC name of 1-(trifluoromethylsulfonyl)cycloheptene (CID 59365929) is 1-(trifluoromethylsulfonyl)cycloheptene.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)cycloheptene?
The canonical SMILES for 1-(trifluoromethylsulfonyl)cycloheptene is O=S(=O)(C1=CCCCCC1)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)cycloheptene?
The InChIKey is ZMFHVCOCSSNLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2S/c9-8(10,11)14(12,13)7-5-3-1-2-4-6-7/h5H,1-4,6H2.
What are the key properties of 1-(trifluoromethylsulfonyl)cycloheptene?
1-(trifluoromethylsulfonyl)cycloheptene has a molecular weight of 228.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)cycloheptene is sourced from PubChem (CID 59365929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).