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

C16H22FNOS — CID 115918129

IUPAC2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine
SMILESNCC(F)(c1ccccc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H22FNOS/c17-16(11-18,13-4-2-1-3-5-13)14-6-8-19-15(10-14)7-9-20-12-15/h1-5,14H,6-12,18H2
InChIKeyOVPXQTQBDGWGCG-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.11
Rot. Bonds3

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

2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine (PubChem CID 115918129) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine
PubChem CID115918129
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine
SMILESNCC(F)(c1ccccc1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C16H22FNOS/c17-16(11-18,13-4-2-1-3-5-13)14-6-8-19-15(10-14)7-9-20-12-15/h1-5,14H,6-12,18H2
InChIKeyOVPXQTQBDGWGCG-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.11
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)-2-phenylethanamine?
The IUPAC name of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine (CID 115918129) is 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine.
What is the SMILES notation for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine?
The canonical SMILES for 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine is NCC(F)(c1ccccc1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine?
The InChIKey is OVPXQTQBDGWGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c17-16(11-18,13-4-2-1-3-5-13)14-6-8-19-15(10-14)7-9-20-12-15/h1-5,14H,6-12,18H2.
What are the key properties of 2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine?
2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylethanamine has a molecular weight of 295.42 g/mol, XLogP of 3.11, 3 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)-2-phenylethanamine is sourced from PubChem (CID 115918129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).