6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane

C6H7F4N — CID 170907246

IUPAC6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane
SMILESFC1(F)CNC2(CC2)C1(F)F
InChIInChI=1S/C6H7F4N/c7-5(8)3-11-4(1-2-4)6(5,9)10/h11H,1-3H2
InChIKeyZZQDMFRQNLUVMH-UHFFFAOYSA-N
MW169.12 g/mol
LogP1.39
Rot. Bonds

About 6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane

6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane (PubChem CID 170907246) has the molecular formula C6H7F4N and a molecular weight of 169.12 g/mol. Its IUPAC name is 6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane
PubChem CID170907246
Molecular FormulaC6H7F4N
Molecular Weight169.12 g/mol
Exact Mass169.05
IUPAC Name6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane
SMILESFC1(F)CNC2(CC2)C1(F)F
InChIInChI=1S/C6H7F4N/c7-5(8)3-11-4(1-2-4)6(5,9)10/h11H,1-3H2
InChIKeyZZQDMFRQNLUVMH-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-1,8-diazaspiro[3.5]nonane
CID 88978072
3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane
CID 170572077
7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride
CID 155896929
4,4-difluoro-1-azaspiro[4.4]nonane
CID 83856346
2,2-difluoroazetidine
CID 68750416
2-azatricyclo[2.1.1.01,4]hexane
CID 148680523
5,5-difluoro-1-azaspiro[5.6]dodecane
CID 155973408
2-tert-butyl-3,3-difluoro-2-methylpyrrolidine
CID 83855284
3,3-dimethyl-1-azaspiro[3.4]octane
CID 167732753
3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride
CID 115013960
4,4-difluoro-8λ6-thia-1-azaspiro[4.5]decane 8,8-dioxide
CID 115034951
3,3-difluoro-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-azaspiro[3.6]decane
CID 154505925

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane?
The IUPAC name of 6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane (CID 170907246) is 6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane.
What is the SMILES notation for 6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane?
The canonical SMILES for 6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane is FC1(F)CNC2(CC2)C1(F)F.
What is the InChIKey of 6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane?
The InChIKey is ZZQDMFRQNLUVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N/c7-5(8)3-11-4(1-2-4)6(5,9)10/h11H,1-3H2.
What are the key properties of 6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane?
6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane has a molecular weight of 169.12 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7-tetrafluoro-4-azaspiro[2.4]heptane is sourced from PubChem (CID 170907246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).