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

C10H15F3N2OS — CID 137003266

IUPACN-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESFC(F)(F)CC/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C10H15F3N2OS/c11-10(12,13)1-4-14-8-15-9(7-17-8)2-5-16-6-3-9/h1-7H2,(H,14,15)
InChIKeySVMDDPICKYXUML-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.18
Rot. Bonds2

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

N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 137003266) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID137003266
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC NameN-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESFC(F)(F)CC/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C10H15F3N2OS/c11-10(12,13)1-4-14-8-15-9(7-17-8)2-5-16-6-3-9/h1-7H2,(H,14,15)
InChIKeySVMDDPICKYXUML-UHFFFAOYSA-N
XLogP2.18
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 137003266) is N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is FC(F)(F)CC/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is SVMDDPICKYXUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c11-10(12,13)1-4-14-8-15-9(7-17-8)2-5-16-6-3-9/h1-7H2,(H,14,15).
What are the key properties of N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 268.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 137003266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).