[(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine

C10H17F2NO — CID 125450154

IUPAC[(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine
SMILESNC[C@@H]1CCC2(CCC(F)(F)CC2)O1
InChIInChI=1S/C10H17F2NO/c11-10(12)5-3-9(4-6-10)2-1-8(7-13)14-9/h8H,1-7,13H2/t8-/m0/s1
InChIKeyQGIUBDUKXMHEQO-QMMMGPOBSA-N
MW205.25 g/mol
LogP2.07
Rot. Bonds1

About [(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine

[(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine (PubChem CID 125450154) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is [(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine
PubChem CID125450154
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name[(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine
SMILESNC[C@@H]1CCC2(CCC(F)(F)CC2)O1
InChIInChI=1S/C10H17F2NO/c11-10(12)5-3-9(4-6-10)2-1-8(7-13)14-9/h8H,1-7,13H2/t8-/m0/s1
InChIKeyQGIUBDUKXMHEQO-QMMMGPOBSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine?
The IUPAC name of [(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine (CID 125450154) is [(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine.
What is the SMILES notation for [(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine?
The canonical SMILES for [(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine is NC[C@@H]1CCC2(CCC(F)(F)CC2)O1.
What is the InChIKey of [(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine?
The InChIKey is QGIUBDUKXMHEQO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-10(12)5-3-9(4-6-10)2-1-8(7-13)14-9/h8H,1-7,13H2/t8-/m0/s1.
What are the key properties of [(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine?
[(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine has a molecular weight of 205.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-8,8-difluoro-1-oxaspiro[4.5]decan-2-yl]methanamine is sourced from PubChem (CID 125450154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).