5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene

C11H11F7 — CID 20802338

IUPAC5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESCC(C(F)(F)F)(C(F)(F)F)C1(F)CC2C=CC1C2
InChIInChI=1S/C11H11F7/c1-8(10(13,14)15,11(16,17)18)9(12)5-6-2-3-7(9)4-6/h2-3,6-7H,4-5H2,1H3
InChIKeyNATNZGNKHJKTRN-UHFFFAOYSA-N
MW276.20 g/mol
LogP4.42
Rot. Bonds1

About 5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene

5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene (PubChem CID 20802338) has the molecular formula C11H11F7 and a molecular weight of 276.20 g/mol. Its IUPAC name is 5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene
PubChem CID20802338
Molecular FormulaC11H11F7
Molecular Weight276.20 g/mol
Exact Mass276.07
IUPAC Name5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESCC(C(F)(F)F)(C(F)(F)F)C1(F)CC2C=CC1C2
InChIInChI=1S/C11H11F7/c1-8(10(13,14)15,11(16,17)18)9(12)5-6-2-3-7(9)4-6/h2-3,6-7H,4-5H2,1H3
InChIKeyNATNZGNKHJKTRN-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene (CID 20802338) is 5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene is CC(C(F)(F)F)(C(F)(F)F)C1(F)CC2C=CC1C2.
What is the InChIKey of 5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is NATNZGNKHJKTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F7/c1-8(10(13,14)15,11(16,17)18)9(12)5-6-2-3-7(9)4-6/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene?
5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 276.20 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 20802338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).