4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane

C11H21F2NO — CID 163295550

IUPAC4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
SMILESCC.NC1CCC2(CC1)OCCC2(F)F
InChIInChI=1S/C9H15F2NO.C2H6/c10-9(11)5-6-13-8(9)3-1-7(12)2-4-8;1-2/h7H,1-6,12H2;1-2H3
InChIKeyJFOQHWXQWRBZJF-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.71
Rot. Bonds

About 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane

4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane (PubChem CID 163295550) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane.

Molecular Properties

Compound Name4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
PubChem CID163295550
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
SMILESCC.NC1CCC2(CC1)OCCC2(F)F
InChIInChI=1S/C9H15F2NO.C2H6/c10-9(11)5-6-13-8(9)3-1-7(12)2-4-8;1-2/h7H,1-6,12H2;1-2H3
InChIKeyJFOQHWXQWRBZJF-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane?
The IUPAC name of 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane (CID 163295550) is 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane.
What is the SMILES notation for 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane?
The canonical SMILES for 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane is CC.NC1CCC2(CC1)OCCC2(F)F.
What is the InChIKey of 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane?
The InChIKey is JFOQHWXQWRBZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO.C2H6/c10-9(11)5-6-13-8(9)3-1-7(12)2-4-8;1-2/h7H,1-6,12H2;1-2H3.
What are the key properties of 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane?
4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane has a molecular weight of 221.29 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine;ethane is sourced from PubChem (CID 163295550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).