2,2-difluoro-1-methyl-6-azaspiro[2.5]octane

C8H13F2N — CID 121209308

IUPAC2,2-difluoro-1-methyl-6-azaspiro[2.5]octane
SMILESCC1C(F)(F)C12CCNCC2
InChIInChI=1S/C8H13F2N/c1-6-7(8(6,9)10)2-4-11-5-3-7/h6,11H,2-5H2,1H3
InChIKeyWXAYCWRRAOZHEJ-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.64
Rot. Bonds

About 2,2-difluoro-1-methyl-6-azaspiro[2.5]octane

2,2-difluoro-1-methyl-6-azaspiro[2.5]octane (PubChem CID 121209308) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 2,2-difluoro-1-methyl-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-1-methyl-6-azaspiro[2.5]octane
PubChem CID121209308
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name2,2-difluoro-1-methyl-6-azaspiro[2.5]octane
SMILESCC1C(F)(F)C12CCNCC2
InChIInChI=1S/C8H13F2N/c1-6-7(8(6,9)10)2-4-11-5-3-7/h6,11H,2-5H2,1H3
InChIKeyWXAYCWRRAOZHEJ-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methyl-6-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-1-methyl-6-azaspiro[2.5]octane (CID 121209308) is 2,2-difluoro-1-methyl-6-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-1-methyl-6-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-1-methyl-6-azaspiro[2.5]octane is CC1C(F)(F)C12CCNCC2.
What is the InChIKey of 2,2-difluoro-1-methyl-6-azaspiro[2.5]octane?
The InChIKey is WXAYCWRRAOZHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6-7(8(6,9)10)2-4-11-5-3-7/h6,11H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-methyl-6-azaspiro[2.5]octane?
2,2-difluoro-1-methyl-6-azaspiro[2.5]octane has a molecular weight of 161.19 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methyl-6-azaspiro[2.5]octane is sourced from PubChem (CID 121209308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).