2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine

C12H21F2NO — CID 103516925

IUPAC2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
SMILESNC(C(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C12H21F2NO/c13-11(14)10(15)9-4-7-16-12(8-9)5-2-1-3-6-12/h9-11H,1-8,15H2
InChIKeyYOLIJVWBAXWFGO-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.71
Rot. Bonds2

About 2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine

2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 103516925) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID103516925
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
SMILESNC(C(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C12H21F2NO/c13-11(14)10(15)9-4-7-16-12(8-9)5-2-1-3-6-12/h9-11H,1-8,15H2
InChIKeyYOLIJVWBAXWFGO-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.71
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-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine (CID 103516925) is 2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine is NC(C(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is YOLIJVWBAXWFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-11(14)10(15)9-4-7-16-12(8-9)5-2-1-3-6-12/h9-11H,1-8,15H2.
What are the key properties of 2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine?
2,2-difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 233.30 g/mol, XLogP of 2.71, 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-(1-oxaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 103516925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).