cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene

C22H16F20 — CID 161382497

IUPACcyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
SMILESC1=CCC=C1.FC(F)(F)/C=C/C(F)(C(F)(F)F)C(F)(F)F.FC(F)(F)C1C2C=CC(C2)C1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F10.C6H2F10.C5H6/c12-8(10(16,17)18,11(19,20)21)6-4-1-2-5(3-4)7(6)9(13,14)15;7-3(5(11,12)13,6(14,15)16)1-2-4(8,9)10;1-2-4-5-3-1/h1-2,4-7H,3H2;1-2H;1-4H,5H2/b;2-1+;
InChIKeyVRXBKXIQMSHUHQ-JITBQSAISA-N
MW660.33 g/mol
LogP10.26
Rot. Bonds2

About cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene

cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene (PubChem CID 161382497) has the molecular formula C22H16F20 and a molecular weight of 660.33 g/mol. Its IUPAC name is cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
PubChem CID161382497
Molecular FormulaC22H16F20
Molecular Weight660.33 g/mol
Exact Mass660.09
IUPAC Namecyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
SMILESC1=CCC=C1.FC(F)(F)/C=C/C(F)(C(F)(F)F)C(F)(F)F.FC(F)(F)C1C2C=CC(C2)C1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F10.C6H2F10.C5H6/c12-8(10(16,17)18,11(19,20)21)6-4-1-2-5(3-4)7(6)9(13,14)15;7-3(5(11,12)13,6(14,15)16)1-2-4(8,9)10;1-2-4-5-3-1/h1-2,4-7H,3H2;1-2H;1-4H,5H2/b;2-1+;
InChIKeyVRXBKXIQMSHUHQ-JITBQSAISA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.33
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene (CID 161382497) is cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene is C1=CCC=C1.FC(F)(F)/C=C/C(F)(C(F)(F)F)C(F)(F)F.FC(F)(F)C1C2C=CC(C2)C1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
The InChIKey is VRXBKXIQMSHUHQ-JITBQSAISA-N. The full InChI is InChI=1S/C11H8F10.C6H2F10.C5H6/c12-8(10(16,17)18,11(19,20)21)6-4-1-2-5(3-4)7(6)9(13,14)15;7-3(5(11,12)13,6(14,15)16)1-2-4(8,9)10;1-2-4-5-3-1/h1-2,4-7H,3H2;1-2H;1-4H,5H2/b;2-1+;.
What are the key properties of cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene?
cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene has a molecular weight of 660.33 g/mol, XLogP of 10.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene;(E)-1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 161382497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).