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

C11H15F3N2OS — CID 136730471

IUPACN-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESFC(F)(F)C1(/N=C2/NC3(CCOCC3)CS2)CC1
InChIInChI=1S/C11H15F3N2OS/c12-11(13,14)10(1-2-10)16-8-15-9(7-18-8)3-5-17-6-4-9/h1-7H2,(H,15,16)
InChIKeyOJVBJESVWJHLFG-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.32
Rot. Bonds1

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

N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (PubChem CID 136730471) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
PubChem CID136730471
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
SMILESFC(F)(F)C1(/N=C2/NC3(CCOCC3)CS2)CC1
InChIInChI=1S/C11H15F3N2OS/c12-11(13,14)10(1-2-10)16-8-15-9(7-18-8)3-5-17-6-4-9/h1-7H2,(H,15,16)
InChIKeyOJVBJESVWJHLFG-UHFFFAOYSA-N
XLogP2.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.32
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

N-[2-(2,2-difluoroethoxy)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730445
N-(2,2,2-trifluoroethyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819475
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-(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
N-(1-methylcyclopropyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106299045
N-[3-(cyclopropylmethoxy)propyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730406

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine (CID 136730471) is N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is FC(F)(F)C1(/N=C2/NC3(CCOCC3)CS2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
The InChIKey is OJVBJESVWJHLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c12-11(13,14)10(1-2-10)16-8-15-9(7-18-8)3-5-17-6-4-9/h1-7H2,(H,15,16).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine?
N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine has a molecular weight of 280.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine is sourced from PubChem (CID 136730471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).