[[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium

C9H18F4N3+ — CID 59294950

IUPAC[[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium
SMILESC[N+](C)=C(N(CF)CF)N(CCF)CCF
InChIInChI=1S/C9H18F4N3/c1-14(2)9(16(7-12)8-13)15(5-3-10)6-4-11/h3-8H2,1-2H3/q+1
InChIKeyQZUTZJCCBODTNE-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.01
Rot. Bonds6

About [[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium

[[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium (PubChem CID 59294950) has the molecular formula C9H18F4N3+ and a molecular weight of 244.26 g/mol. Its IUPAC name is [[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium
PubChem CID59294950
Molecular FormulaC9H18F4N3+
Molecular Weight244.26 g/mol
Exact Mass244.14
IUPAC Name[[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium
SMILESC[N+](C)=C(N(CF)CF)N(CCF)CCF
InChIInChI=1S/C9H18F4N3/c1-14(2)9(16(7-12)8-13)15(5-3-10)6-4-11/h3-8H2,1-2H3/q+1
InChIKeyQZUTZJCCBODTNE-UHFFFAOYSA-N
XLogP1.01
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride (1:1)
CID 9795249
Guanidine, N,N,N',N',N''-pentaethyl-
CID 238097
Hexaethylguanidinium bromide
CID 5744058
[Diethylamino(fluoro)methylidene]-diethylazanium
CID 11500706
triethyl-(N,N,N'-triethylcarbamimidoyl)azanium chloride
CID 17906762
Bis(diethylamino)methylidene-diethylazanium
CID 5744059
Bis(diethylamino)-N,N-diethylmethaniminium iodide
CID 13127976
[Diethylamino-(difluoroamino)methylidene]-dimethylazanium
CID 59294944
[[Bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
CID 59294947
[Bis(2-fluoroethyl)azaniumylidene-(difluoroamino)methyl]-trimethylazanium
CID 87548454
[[Bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
CID 87548544
[Diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate
CID 11500705

Frequently Asked Questions

What is the IUPAC name of [[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium?
The IUPAC name of [[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium (CID 59294950) is [[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium.
What is the SMILES notation for [[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium?
The canonical SMILES for [[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium is C[N+](C)=C(N(CF)CF)N(CCF)CCF.
What is the InChIKey of [[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium?
The InChIKey is QZUTZJCCBODTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F4N3/c1-14(2)9(16(7-12)8-13)15(5-3-10)6-4-11/h3-8H2,1-2H3/q+1.
What are the key properties of [[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium?
[[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium has a molecular weight of 244.26 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium is sourced from PubChem (CID 59294950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).