2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene

C12H14F4 — CID 88894469

IUPAC2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)C(F)(F)CCCC1=CC2C=CC1C2
InChIInChI=1S/C12H14F4/c13-11(14)12(15,16)5-1-2-9-6-8-3-4-10(9)7-8/h3-4,6,8,10-11H,1-2,5,7H2
InChIKeyFKUNVWNDJQMYNU-UHFFFAOYSA-N
MW234.24 g/mol
LogP4.19
Rot. Bonds5

About 2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene

2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 88894469) has the molecular formula C12H14F4 and a molecular weight of 234.24 g/mol. Its IUPAC name is 2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
PubChem CID88894469
Molecular FormulaC12H14F4
Molecular Weight234.24 g/mol
Exact Mass234.10
IUPAC Name2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)C(F)(F)CCCC1=CC2C=CC1C2
InChIInChI=1S/C12H14F4/c13-11(14)12(15,16)5-1-2-9-6-8-3-4-10(9)7-8/h3-4,6,8,10-11H,1-2,5,7H2
InChIKeyFKUNVWNDJQMYNU-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 54.19
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 2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene (CID 88894469) is 2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene is FC(F)C(F)(F)CCCC1=CC2C=CC1C2.
What is the InChIKey of 2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is FKUNVWNDJQMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4/c13-11(14)12(15,16)5-1-2-9-6-8-3-4-10(9)7-8/h3-4,6,8,10-11H,1-2,5,7H2.
What are the key properties of 2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene?
2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 234.24 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5-tetrafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 88894469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).