1-(trifluoromethylsulfonyl)cyclohexene

C7H9F3O2S — CID 15504449

IUPAC1-(trifluoromethylsulfonyl)cyclohexene
SMILESO=S(=O)(C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C7H9F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyBDVLCPCKKYOHLK-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.38
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)cyclohexene

1-(trifluoromethylsulfonyl)cyclohexene (PubChem CID 15504449) has the molecular formula C7H9F3O2S and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)cyclohexene.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)cyclohexene
PubChem CID15504449
Molecular FormulaC7H9F3O2S
Molecular Weight214.21 g/mol
Exact Mass214.03
IUPAC Name1-(trifluoromethylsulfonyl)cyclohexene
SMILESO=S(=O)(C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C7H9F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyBDVLCPCKKYOHLK-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)cyclohexene?
The IUPAC name of 1-(trifluoromethylsulfonyl)cyclohexene (CID 15504449) is 1-(trifluoromethylsulfonyl)cyclohexene.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)cyclohexene?
The canonical SMILES for 1-(trifluoromethylsulfonyl)cyclohexene is O=S(=O)(C1=CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)cyclohexene?
The InChIKey is BDVLCPCKKYOHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of 1-(trifluoromethylsulfonyl)cyclohexene?
1-(trifluoromethylsulfonyl)cyclohexene has a molecular weight of 214.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)cyclohexene is sourced from PubChem (CID 15504449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).