2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

C12H21F2NO — CID 102897656

IUPAC2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESFC(F)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C12H21F2NO/c13-11(14)9-15-8-10-4-7-12(16-10)5-2-1-3-6-12/h10-11,15H,1-9H2
InChIKeyHSWLBXHSEOUURK-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.72
Rot. Bonds4

About 2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (PubChem CID 102897656) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
PubChem CID102897656
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESFC(F)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C12H21F2NO/c13-11(14)9-15-8-10-4-7-12(16-10)5-2-1-3-6-12/h10-11,15H,1-9H2
InChIKeyHSWLBXHSEOUURK-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.72
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[4.5]decan-2-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (CID 102897656) is 2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is FC(F)CNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The InChIKey is HSWLBXHSEOUURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-11(14)9-15-8-10-4-7-12(16-10)5-2-1-3-6-12/h10-11,15H,1-9H2.
What are the key properties of 2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine has a molecular weight of 233.30 g/mol, XLogP of 2.72, 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[4.5]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102897656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).