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

C9H15F2NO — CID 163295551

IUPAC4,4-difluoro-1-oxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1)OCCC2(F)F
InChIInChI=1S/C9H15F2NO/c10-9(11)5-6-13-8(9)3-1-7(12)2-4-8/h7H,1-6,12H2
InChIKeyGPTUNSNBLLCPQM-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.68
Rot. Bonds

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

4,4-difluoro-1-oxaspiro[4.5]decan-8-amine (PubChem CID 163295551) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name4,4-difluoro-1-oxaspiro[4.5]decan-8-amine
PubChem CID163295551
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name4,4-difluoro-1-oxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1)OCCC2(F)F
InChIInChI=1S/C9H15F2NO/c10-9(11)5-6-13-8(9)3-1-7(12)2-4-8/h7H,1-6,12H2
InChIKeyGPTUNSNBLLCPQM-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.68
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?
The IUPAC name of 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine (CID 163295551) is 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine?
The canonical SMILES for 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine is NC1CCC2(CC1)OCCC2(F)F.
What is the InChIKey of 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine?
The InChIKey is GPTUNSNBLLCPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)5-6-13-8(9)3-1-7(12)2-4-8/h7H,1-6,12H2.
What are the key properties of 4,4-difluoro-1-oxaspiro[4.5]decan-8-amine?
4,4-difluoro-1-oxaspiro[4.5]decan-8-amine has a molecular weight of 191.22 g/mol, XLogP of 1.68, 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 is sourced from PubChem (CID 163295551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).