5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

C10H11F3O2S — CID 89363113

IUPAC5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESC=CS(=O)(=O)C1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C10H11F3O2S/c1-2-16(14,15)9(10(11,12)13)6-7-3-4-8(9)5-7/h2-4,7-8H,1,5-6H2
InChIKeyMXDVOKQHJVMWDN-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.44
Rot. Bonds2

About 5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 89363113) has the molecular formula C10H11F3O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is 5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID89363113
Molecular FormulaC10H11F3O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESC=CS(=O)(=O)C1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C10H11F3O2S/c1-2-16(14,15)9(10(11,12)13)6-7-3-4-8(9)5-7/h2-4,7-8H,1,5-6H2
InChIKeyMXDVOKQHJVMWDN-UHFFFAOYSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 89363113) is 5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is C=CS(=O)(=O)C1(C(F)(F)F)CC2C=CC1C2.
What is the InChIKey of 5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is MXDVOKQHJVMWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2S/c1-2-16(14,15)9(10(11,12)13)6-7-3-4-8(9)5-7/h2-4,7-8H,1,5-6H2.
What are the key properties of 5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 252.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 89363113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).