2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

C11H19F2NO — CID 102897655

IUPAC2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESFC(F)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C11H19F2NO/c12-10(13)8-14-7-9-3-6-11(15-9)4-1-2-5-11/h9-10,14H,1-8H2
InChIKeyUQRGSZBVFFEFAI-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.33
Rot. Bonds4

About 2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (PubChem CID 102897655) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
PubChem CID102897655
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESFC(F)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C11H19F2NO/c12-10(13)8-14-7-9-3-6-11(15-9)4-1-2-5-11/h9-10,14H,1-8H2
InChIKeyUQRGSZBVFFEFAI-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (CID 102897655) is 2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is FC(F)CNCC1CCC2(CCCC2)O1.
What is the InChIKey of 2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The InChIKey is UQRGSZBVFFEFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c12-10(13)8-14-7-9-3-6-11(15-9)4-1-2-5-11/h9-10,14H,1-8H2.
What are the key properties of 2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine has a molecular weight of 219.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102897655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).