2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene

C11H10F6 — CID 20760925

IUPAC2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C1=CC2C=CC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6/c1-9(10(12,13)14,11(15,16)17)8-5-6-2-3-7(8)4-6/h2-3,5-7H,4H2,1H3
InChIKeyZQLIBKBBQWRGBG-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.25
Rot. Bonds1

About 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene

2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 20760925) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene
PubChem CID20760925
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C1=CC2C=CC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F6/c1-9(10(12,13)14,11(15,16)17)8-5-6-2-3-7(8)4-6/h2-3,5-7H,4H2,1H3
InChIKeyZQLIBKBBQWRGBG-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene with MolForge

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Related Compounds

2,3-Bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 594623
6-(Difluoromethylidene)-5,5-dimethylbicyclo[2.2.1]hept-2-ene
CID 12769993
1,3,3,4,5,6-Hexabis(trifluoromethyl)cyclohex-1-ene
CID 550605
(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 10489505
8,9-Bis(trifluoromethyl)tricyclo[5.2.1.01,5]deca-2,5,8-triene
CID 12814402
Cqlqodnnbnpeor-uhfffaoysa-
CID 23267189
1-Methyl-3,3-bis(trifluoromethyl)cyclohexene
CID 84820758
5,5-Difluoro-6-methyl-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 20617084
5-Fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 20802338
1,2-Bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 21675336
5-Methyl-5-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 21960481
5,5-Bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 21960484

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene (CID 20760925) is 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene is CC(C1=CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is ZQLIBKBBQWRGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6/c1-9(10(12,13)14,11(15,16)17)8-5-6-2-3-7(8)4-6/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene?
2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 256.19 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 20760925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).