N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

C13H22F3NOS — CID 105018005

IUPACN-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESCCNC(C1CCOC2(CCSCC2)C1)C(F)(F)F
InChIInChI=1S/C13H22F3NOS/c1-2-17-11(13(14,15)16)10-3-6-18-12(9-10)4-7-19-8-5-12/h10-11,17H,2-9H2,1H3
InChIKeyUZYPZWYMGOJSIY-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.22
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 105018005) has the molecular formula C13H22F3NOS and a molecular weight of 297.39 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID105018005
Molecular FormulaC13H22F3NOS
Molecular Weight297.39 g/mol
Exact Mass297.14
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESCCNC(C1CCOC2(CCSCC2)C1)C(F)(F)F
InChIInChI=1S/C13H22F3NOS/c1-2-17-11(13(14,15)16)10-3-6-18-12(9-10)4-7-19-8-5-12/h10-11,17H,2-9H2,1H3
InChIKeyUZYPZWYMGOJSIY-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (CID 105018005) is N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is CCNC(C1CCOC2(CCSCC2)C1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is UZYPZWYMGOJSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NOS/c1-2-17-11(13(14,15)16)10-3-6-18-12(9-10)4-7-19-8-5-12/h10-11,17H,2-9H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 297.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 105018005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).