N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

C9H13F3N2OS — CID 136819475

IUPACN-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESFC(F)(F)C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C9H13F3N2OS/c10-9(11,12)5-13-7-14-8(6-16-7)1-3-15-4-2-8/h1-6H2,(H,13,14)
InChIKeyUCXOOBZJYCGKPG-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.79
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine

N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136819475) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136819475
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC NameN-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESFC(F)(F)C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C9H13F3N2OS/c10-9(11,12)5-13-7-14-8(6-16-7)1-3-15-4-2-8/h1-6H2,(H,13,14)
InChIKeyUCXOOBZJYCGKPG-UHFFFAOYSA-N
XLogP1.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,4-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 135998325
N-[2-(2,2-difluoroethoxy)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730445
N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730471
N-[2-(2,2,2-trifluoroethoxy)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819696
N-(2,2-difluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819773
N-(4,4,4-trifluorobutyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819774
N-(5,5,5-trifluoropentyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819775
N-[2-(trifluoromethylsulfanyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136842348
N-[2-(2,2-difluoroethoxy)ethyl]-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136999754
N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137003266
N-(4,4,4-trifluorobutan-2-yl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137003325
N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 137003330

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136819475) is N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is FC(F)(F)C/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is UCXOOBZJYCGKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c10-9(11,12)5-13-7-14-8(6-16-7)1-3-15-4-2-8/h1-6H2,(H,13,14).
What are the key properties of N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 254.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136819475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).