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

C10H14F4N2OS — CID 137003330

IUPACN-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESFC(F)C(F)(F)C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C10H14F4N2OS/c11-7(12)10(13,14)5-15-8-16-9(6-18-8)1-3-17-4-2-9/h7H,1-6H2,(H,15,16)
InChIKeyCKFONXCTBPPSBT-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.13
Rot. Bonds3

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

N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 137003330) has the molecular formula C10H14F4N2OS and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID137003330
Molecular FormulaC10H14F4N2OS
Molecular Weight286.29 g/mol
Exact Mass286.08
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESFC(F)C(F)(F)C/N=C1/NC2(CCOCC2)CS1
InChIInChI=1S/C10H14F4N2OS/c11-7(12)10(13,14)5-15-8-16-9(6-18-8)1-3-17-4-2-9/h7H,1-6H2,(H,15,16)
InChIKeyCKFONXCTBPPSBT-UHFFFAOYSA-N
XLogP2.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 137003330) is N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is FC(F)C(F)(F)C/N=C1/NC2(CCOCC2)CS1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is CKFONXCTBPPSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N2OS/c11-7(12)10(13,14)5-15-8-16-9(6-18-8)1-3-17-4-2-9/h7H,1-6H2,(H,15,16).
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 286.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 137003330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).