2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

C11H20FNOS — CID 112562746

IUPAC2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESNCC(F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C11H20FNOS/c12-10(8-13)9-1-4-14-11(7-9)2-5-15-6-3-11/h9-10H,1-8,13H2
InChIKeyWGIGLPLVESIEDC-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.98
Rot. Bonds2

About 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 112562746) has the molecular formula C11H20FNOS and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID112562746
Molecular FormulaC11H20FNOS
Molecular Weight233.35 g/mol
Exact Mass233.12
IUPAC Name2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESNCC(F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C11H20FNOS/c12-10(8-13)9-1-4-14-11(7-9)2-5-15-6-3-11/h9-10H,1-8,13H2
InChIKeyWGIGLPLVESIEDC-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (CID 112562746) is 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is NCC(F)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is WGIGLPLVESIEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNOS/c12-10(8-13)9-1-4-14-11(7-9)2-5-15-6-3-11/h9-10H,1-8,13H2.
What are the key properties of 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 112562746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).