8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane

C13H25F2N — CID 170739983

IUPAC8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane
SMILESCC.CC(C)N1CCC2(CCC(F)(F)C2)C1
InChIInChI=1S/C11H19F2N.C2H6/c1-9(2)14-6-5-10(8-14)3-4-11(12,13)7-10;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyGUGNHCAENUWIIY-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.93
Rot. Bonds1

About 8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane

8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane (PubChem CID 170739983) has the molecular formula C13H25F2N and a molecular weight of 233.35 g/mol. Its IUPAC name is 8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane.

Molecular Properties

Compound Name8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane
PubChem CID170739983
Molecular FormulaC13H25F2N
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane
SMILESCC.CC(C)N1CCC2(CCC(F)(F)C2)C1
InChIInChI=1S/C11H19F2N.C2H6/c1-9(2)14-6-5-10(8-14)3-4-11(12,13)7-10;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyGUGNHCAENUWIIY-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane?
The IUPAC name of 8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane (CID 170739983) is 8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane.
What is the SMILES notation for 8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane?
The canonical SMILES for 8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane is CC.CC(C)N1CCC2(CCC(F)(F)C2)C1.
What is the InChIKey of 8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane?
The InChIKey is GUGNHCAENUWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N.C2H6/c1-9(2)14-6-5-10(8-14)3-4-11(12,13)7-10;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of 8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane?
8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane has a molecular weight of 233.35 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-2-propan-2-yl-2-azaspiro[4.4]nonane;ethane is sourced from PubChem (CID 170739983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).