4,4-difluoro-8-methyl-8-azaspiro[4.5]decane

C10H17F2N — CID 67987612

IUPAC4,4-difluoro-8-methyl-8-azaspiro[4.5]decane
SMILESCN1CCC2(CCCC2(F)F)CC1
InChIInChI=1S/C10H17F2N/c1-13-7-5-9(6-8-13)3-2-4-10(9,11)12/h2-8H2,1H3
InChIKeyCLPQMANYGVYEBP-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.52
Rot. Bonds

About 4,4-difluoro-8-methyl-8-azaspiro[4.5]decane

4,4-difluoro-8-methyl-8-azaspiro[4.5]decane (PubChem CID 67987612) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 4,4-difluoro-8-methyl-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4,4-difluoro-8-methyl-8-azaspiro[4.5]decane
PubChem CID67987612
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name4,4-difluoro-8-methyl-8-azaspiro[4.5]decane
SMILESCN1CCC2(CCCC2(F)F)CC1
InChIInChI=1S/C10H17F2N/c1-13-7-5-9(6-8-13)3-2-4-10(9,11)12/h2-8H2,1H3
InChIKeyCLPQMANYGVYEBP-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-8-methyl-8-azaspiro[4.5]decane?
The IUPAC name of 4,4-difluoro-8-methyl-8-azaspiro[4.5]decane (CID 67987612) is 4,4-difluoro-8-methyl-8-azaspiro[4.5]decane.
What is the SMILES notation for 4,4-difluoro-8-methyl-8-azaspiro[4.5]decane?
The canonical SMILES for 4,4-difluoro-8-methyl-8-azaspiro[4.5]decane is CN1CCC2(CCCC2(F)F)CC1.
What is the InChIKey of 4,4-difluoro-8-methyl-8-azaspiro[4.5]decane?
The InChIKey is CLPQMANYGVYEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-13-7-5-9(6-8-13)3-2-4-10(9,11)12/h2-8H2,1H3.
What are the key properties of 4,4-difluoro-8-methyl-8-azaspiro[4.5]decane?
4,4-difluoro-8-methyl-8-azaspiro[4.5]decane has a molecular weight of 189.25 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-8-methyl-8-azaspiro[4.5]decane is sourced from PubChem (CID 67987612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).