5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene

C9H10F4O3S — CID 58021731

IUPAC5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene
SMILESOOOSC(F)(F)C(F)(F)C1CC2C=CC1C2
InChIInChI=1S/C9H10F4O3S/c10-8(11,9(12,13)17-16-15-14)7-4-5-1-2-6(7)3-5/h1-2,5-7,14H,3-4H2
InChIKeyIQXRUWJKVUNWDA-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.50
Rot. Bonds5

About 5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene

5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 58021731) has the molecular formula C9H10F4O3S and a molecular weight of 274.24 g/mol. Its IUPAC name is 5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene
PubChem CID58021731
Molecular FormulaC9H10F4O3S
Molecular Weight274.24 g/mol
Exact Mass274.03
IUPAC Name5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene
SMILESOOOSC(F)(F)C(F)(F)C1CC2C=CC1C2
InChIInChI=1S/C9H10F4O3S/c10-8(11,9(12,13)17-16-15-14)7-4-5-1-2-6(7)3-5/h1-2,5-7,14H,3-4H2
InChIKeyIQXRUWJKVUNWDA-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene (CID 58021731) is 5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene is OOOSC(F)(F)C(F)(F)C1CC2C=CC1C2.
What is the InChIKey of 5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is IQXRUWJKVUNWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O3S/c10-8(11,9(12,13)17-16-15-14)7-4-5-1-2-6(7)3-5/h1-2,5-7,14H,3-4H2.
What are the key properties of 5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene?
5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 274.24 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58021731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).