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

C13H22FNOS — CID 112567293

IUPAC2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESNCC(F)(C1CC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H22FNOS/c14-13(8-15,10-1-2-10)11-3-5-16-12(7-11)4-6-17-9-12/h10-11H,1-9,15H2
InChIKeyDFPQNEXCDHTYND-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.37
Rot. Bonds3

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

2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 112567293) has the molecular formula C13H22FNOS and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
PubChem CID112567293
Molecular FormulaC13H22FNOS
Molecular Weight259.39 g/mol
Exact Mass259.14
IUPAC Name2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
SMILESNCC(F)(C1CC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H22FNOS/c14-13(8-15,10-1-2-10)11-3-5-16-12(7-11)4-6-17-9-12/h10-11H,1-9,15H2
InChIKeyDFPQNEXCDHTYND-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine (CID 112567293) is 2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is NCC(F)(C1CC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is DFPQNEXCDHTYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNOS/c14-13(8-15,10-1-2-10)11-3-5-16-12(7-11)4-6-17-9-12/h10-11H,1-9,15H2.
What are the key properties of 2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine?
2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 112567293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).