5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane

C11H20F2N2 — CID 154672066

IUPAC5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C11H20F2N2/c1-3-5-15-6-4-10(7-14(2)8-10)11(12,13)9-15/h3-9H2,1-2H3
InChIKeyVYKNKXKRJTUFBU-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.67
Rot. Bonds2

About 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane

5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane (PubChem CID 154672066) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane
PubChem CID154672066
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C11H20F2N2/c1-3-5-15-6-4-10(7-14(2)8-10)11(12,13)9-15/h3-9H2,1-2H3
InChIKeyVYKNKXKRJTUFBU-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane (CID 154672066) is 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane is CCCN1CCC2(CN(C)C2)C(F)(F)C1.
What is the InChIKey of 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is VYKNKXKRJTUFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-3-5-15-6-4-10(7-14(2)8-10)11(12,13)9-15/h3-9H2,1-2H3.
What are the key properties of 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane?
5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 218.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154672066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).