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

C13H26F2N2 — CID 154672065

IUPAC5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane
SMILESCC.CCCN1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C11H20F2N2.C2H6/c1-3-5-15-6-4-10(7-14(2)8-10)11(12,13)9-15;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyLLAVAVJYJQXOPR-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.70
Rot. Bonds2

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

5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane (PubChem CID 154672065) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane
PubChem CID154672065
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC Name5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane
SMILESCC.CCCN1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C11H20F2N2.C2H6/c1-3-5-15-6-4-10(7-14(2)8-10)11(12,13)9-15;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyLLAVAVJYJQXOPR-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.70
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;ethane?
The IUPAC name of 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane (CID 154672065) is 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane.
What is the SMILES notation for 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane?
The canonical SMILES for 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane is CC.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;ethane?
The InChIKey is LLAVAVJYJQXOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2.C2H6/c1-3-5-15-6-4-10(7-14(2)8-10)11(12,13)9-15;1-2/h3-9H2,1-2H3;1-2H3.
What are the key properties of 5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane?
5,5-difluoro-2-methyl-7-propyl-2,7-diazaspiro[3.5]nonane;ethane has a molecular weight of 248.36 g/mol, XLogP of 2.70, 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;ethane is sourced from PubChem (CID 154672065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).