3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene

C11H16F2O — CID 125452237

IUPAC3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene
SMILESFC1(F)CCC2(CCC=CCO2)CC1
InChIInChI=1S/C11H16F2O/c12-11(13)7-5-10(6-8-11)4-2-1-3-9-14-10/h1,3H,2,4-9H2
InChIKeyGELIHJZHAHLZCF-UHFFFAOYSA-N
MW202.24 g/mol
LogP3.30
Rot. Bonds

About 3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene

3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene (PubChem CID 125452237) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene.

Molecular Properties

Compound Name3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene
PubChem CID125452237
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene
SMILESFC1(F)CCC2(CCC=CCO2)CC1
InChIInChI=1S/C11H16F2O/c12-11(13)7-5-10(6-8-11)4-2-1-3-9-14-10/h1,3H,2,4-9H2
InChIKeyGELIHJZHAHLZCF-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene?
The IUPAC name of 3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene (CID 125452237) is 3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene.
What is the SMILES notation for 3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene?
The canonical SMILES for 3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene is FC1(F)CCC2(CCC=CCO2)CC1.
What is the InChIKey of 3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene?
The InChIKey is GELIHJZHAHLZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c12-11(13)7-5-10(6-8-11)4-2-1-3-9-14-10/h1,3H,2,4-9H2.
What are the key properties of 3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene?
3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene has a molecular weight of 202.24 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-7-oxaspiro[5.6]dodec-9-ene is sourced from PubChem (CID 125452237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).