6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane

C14H4F20 — CID 87104326

IUPAC6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESC=CC1C(C(F)(F)F)(C(F)(F)F)C2(F)C(F)(F)C(F)(F)C1(C(F)(F)F)C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H4F20/c1-2-3-4(10(20,21)22)6(13(29,30)31,14(32,33)34)7(15,9(18,19)8(4,16)17)5(3,11(23,24)25)12(26,27)28/h2-3H,1H2
InChIKeyHUVWQWPZDMZWHI-UHFFFAOYSA-N
MW552.15 g/mol
LogP7.57
Rot. Bonds1

About 6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane

6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane (PubChem CID 87104326) has the molecular formula C14H4F20 and a molecular weight of 552.15 g/mol. Its IUPAC name is 6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane
PubChem CID87104326
Molecular FormulaC14H4F20
Molecular Weight552.15 g/mol
Exact Mass552.00
IUPAC Name6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESC=CC1C(C(F)(F)F)(C(F)(F)F)C2(F)C(F)(F)C(F)(F)C1(C(F)(F)F)C2(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H4F20/c1-2-3-4(10(20,21)22)6(13(29,30)31,14(32,33)34)7(15,9(18,19)8(4,16)17)5(3,11(23,24)25)12(26,27)28/h2-3H,1H2
InChIKeyHUVWQWPZDMZWHI-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.15
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane (CID 87104326) is 6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane is C=CC1C(C(F)(F)F)(C(F)(F)F)C2(F)C(F)(F)C(F)(F)C1(C(F)(F)F)C2(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane?
The InChIKey is HUVWQWPZDMZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F20/c1-2-3-4(10(20,21)22)6(13(29,30)31,14(32,33)34)7(15,9(18,19)8(4,16)17)5(3,11(23,24)25)12(26,27)28/h2-3H,1H2.
What are the key properties of 6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane?
6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane has a molecular weight of 552.15 g/mol, XLogP of 7.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,2,3,3,4-pentafluoro-1,5,5,7,7-pentakis(trifluoromethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 87104326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).