2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

C10H18FNOS — CID 112562760

IUPAC2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESNCC(F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C10H18FNOS/c11-9(6-12)8-1-3-13-10(5-8)2-4-14-7-10/h8-9H,1-7,12H2
InChIKeyAMQLFPRORUCAQF-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.59
Rot. Bonds2

About 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine

2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 112562760) has the molecular formula C10H18FNOS and a molecular weight of 219.32 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
PubChem CID112562760
Molecular FormulaC10H18FNOS
Molecular Weight219.32 g/mol
Exact Mass219.11
IUPAC Name2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESNCC(F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C10H18FNOS/c11-9(6-12)8-1-3-13-10(5-8)2-4-14-7-10/h8-9H,1-7,12H2
InChIKeyAMQLFPRORUCAQF-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (CID 112562760) is 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is NCC(F)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is AMQLFPRORUCAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNOS/c11-9(6-12)8-1-3-13-10(5-8)2-4-14-7-10/h8-9H,1-7,12H2.
What are the key properties of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 219.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 112562760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).