5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene

C10H10F6O2S — CID 20811126

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene
SMILESO=S(=O)(C1CC2C=CC1C2)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2S/c11-9(12,13)8(10(14,15)16)19(17,18)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKeyRCNOQSQMBOUKAU-UHFFFAOYSA-N
MW308.24 g/mol
LogP2.86
Rot. Bonds2

About 5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene

5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 20811126) has the molecular formula C10H10F6O2S and a molecular weight of 308.24 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene
PubChem CID20811126
Molecular FormulaC10H10F6O2S
Molecular Weight308.24 g/mol
Exact Mass308.03
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene
SMILESO=S(=O)(C1CC2C=CC1C2)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2S/c11-9(12,13)8(10(14,15)16)19(17,18)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
InChIKeyRCNOQSQMBOUKAU-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(Trifluoromethylsulfonyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 58104799
5-[Bis(trifluoromethylsulfonyl)methyl]bicyclo[2.2.1]hept-2-ene
CID 87174613
5-[Bis(trifluoromethylsulfonyl)methylsulfonyl]bicyclo[2.2.1]hept-2-ene
CID 88547817
5-[Bis(trifluoromethylsulfonyl)methylsulfonylmethyl]bicyclo[2.2.1]hept-2-ene
CID 88547819
5-Ethenylsulfonyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 89363113
5-[Methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylbicyclo[2.2.1]hept-2-ene
CID 89707229
1-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl)bicyclo[2.2.1]hept-2-ene
CID 91285461
5-[3,3,3-Trifluoro-2-(trifluoromethylsulfonyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 118400683
5-Fluoro-6-methylsulfonylbicyclo[2.2.1]hept-2-ene
CID 139978473
1-Butylsulfonyl-2,3,4,5,5,6,6,7,7-nonafluorobicyclo[2.2.1]hept-2-ene
CID 141109040
1-(Trifluoromethylsulfonyl)bicyclo[2.2.1]hept-2-ene
CID 141332244
(1R,4R,5R)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfinyl)bicyclo[2.2.1]hept-2-ene
CID 12996310

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene (CID 20811126) is 5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene is O=S(=O)(C1CC2C=CC1C2)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is RCNOQSQMBOUKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O2S/c11-9(12,13)8(10(14,15)16)19(17,18)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene?
5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 308.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 20811126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).