2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C11H19F2NO — CID 103516932

IUPAC2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(C(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C11H19F2NO/c12-10(13)9(14)8-3-6-15-11(7-8)4-1-2-5-11/h8-10H,1-7,14H2
InChIKeyBBNBQXSVGNLPPG-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.32
Rot. Bonds2

About 2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 103516932) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID103516932
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESNC(C(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C11H19F2NO/c12-10(13)9(14)8-3-6-15-11(7-8)4-1-2-5-11/h8-10H,1-7,14H2
InChIKeyBBNBQXSVGNLPPG-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 103516932) is 2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is NC(C(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is BBNBQXSVGNLPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c12-10(13)9(14)8-3-6-15-11(7-8)4-1-2-5-11/h8-10H,1-7,14H2.
What are the key properties of 2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 219.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 103516932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).