9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene

C12H15F — CID 22480630

IUPAC9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESFC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C12H15F/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-12H,3-5H2
InChIKeySVUVSYOINDDSQU-UHFFFAOYSA-N
MW178.25 g/mol
LogP2.80
Rot. Bonds

About 9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene

9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene (PubChem CID 22480630) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene.

Molecular Properties

Compound Name9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
PubChem CID22480630
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
SMILESFC1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C12H15F/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-12H,3-5H2
InChIKeySVUVSYOINDDSQU-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The IUPAC name of 9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene (CID 22480630) is 9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene.
What is the SMILES notation for 9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The canonical SMILES for 9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene is FC1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
The InChIKey is SVUVSYOINDDSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c13-10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12/h1-2,6-12H,3-5H2.
What are the key properties of 9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene?
9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene has a molecular weight of 178.25 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene is sourced from PubChem (CID 22480630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).