6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane

C7H11F2N — CID 118673551

IUPAC6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C7H11F2N/c1-10-4-6(5-10)2-7(8,9)3-6/h2-5H2,1H3
InChIKeyXPCASYPWAXDLLG-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.35
Rot. Bonds

About 6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane

6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane (PubChem CID 118673551) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane
PubChem CID118673551
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C7H11F2N/c1-10-4-6(5-10)2-7(8,9)3-6/h2-5H2,1H3
InChIKeyXPCASYPWAXDLLG-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of 6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane (CID 118673551) is 6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane is CN1CC2(C1)CC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane?
The InChIKey is XPCASYPWAXDLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-10-4-6(5-10)2-7(8,9)3-6/h2-5H2,1H3.
What are the key properties of 6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane?
6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane has a molecular weight of 147.17 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 118673551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).