7,7-difluoro-2-azaspiro[3.3]heptane

C6H9F2N — CID 71306266

IUPAC7,7-difluoro-2-azaspiro[3.3]heptane
SMILESFC1(F)CCC12CNC2
InChIInChI=1S/C6H9F2N/c7-6(8)2-1-5(6)3-9-4-5/h9H,1-4H2
InChIKeyNZYYXJQEQOFFFW-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.01
Rot. Bonds

About 7,7-difluoro-2-azaspiro[3.3]heptane

7,7-difluoro-2-azaspiro[3.3]heptane (PubChem CID 71306266) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 7,7-difluoro-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name7,7-difluoro-2-azaspiro[3.3]heptane
PubChem CID71306266
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name7,7-difluoro-2-azaspiro[3.3]heptane
SMILESFC1(F)CCC12CNC2
InChIInChI=1S/C6H9F2N/c7-6(8)2-1-5(6)3-9-4-5/h9H,1-4H2
InChIKeyNZYYXJQEQOFFFW-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-azaspiro[3.3]heptane?
The IUPAC name of 7,7-difluoro-2-azaspiro[3.3]heptane (CID 71306266) is 7,7-difluoro-2-azaspiro[3.3]heptane.
What is the SMILES notation for 7,7-difluoro-2-azaspiro[3.3]heptane?
The canonical SMILES for 7,7-difluoro-2-azaspiro[3.3]heptane is FC1(F)CCC12CNC2.
What is the InChIKey of 7,7-difluoro-2-azaspiro[3.3]heptane?
The InChIKey is NZYYXJQEQOFFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c7-6(8)2-1-5(6)3-9-4-5/h9H,1-4H2.
What are the key properties of 7,7-difluoro-2-azaspiro[3.3]heptane?
7,7-difluoro-2-azaspiro[3.3]heptane has a molecular weight of 133.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-azaspiro[3.3]heptane is sourced from PubChem (CID 71306266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).