5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene

C16H12F16O — CID 88896280

IUPAC5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1CC2C=CC1C2
InChIInChI=1S/C16H12F16O/c17-9(18)11(21,22)13(25,26)15(29,30)16(31,32)14(27,28)12(23,24)10(19,20)5-33-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeyMRNQUMVAKNPANY-UHFFFAOYSA-N
MW524.24 g/mol
LogP6.68
Rot. Bonds10

About 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene

5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene (PubChem CID 88896280) has the molecular formula C16H12F16O and a molecular weight of 524.24 g/mol. Its IUPAC name is 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene
PubChem CID88896280
Molecular FormulaC16H12F16O
Molecular Weight524.24 g/mol
Exact Mass524.06
IUPAC Name5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1CC2C=CC1C2
InChIInChI=1S/C16H12F16O/c17-9(18)11(21,22)13(25,26)15(29,30)16(31,32)14(27,28)12(23,24)10(19,20)5-33-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeyMRNQUMVAKNPANY-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.24
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene (CID 88896280) is 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC1CC2C=CC1C2.
What is the InChIKey of 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene?
The InChIKey is MRNQUMVAKNPANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F16O/c17-9(18)11(21,22)13(25,26)15(29,30)16(31,32)14(27,28)12(23,24)10(19,20)5-33-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2.
What are the key properties of 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene?
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene has a molecular weight of 524.24 g/mol, XLogP of 6.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 88896280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).