[[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium

C9H20F2N3+ — CID 87548544

IUPAC[[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCC(F)N(C(N(C)C)=[N+](C)C)C(C)F
InChIInChI=1S/C9H20F2N3/c1-7(10)14(8(2)11)9(12(3)4)13(5)6/h7-8H,1-6H3/q+1
InChIKeyDPIGMDZYZXDSDD-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.11
Rot. Bonds2

About [[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium

[[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 87548544) has the molecular formula C9H20F2N3+ and a molecular weight of 208.28 g/mol. Its IUPAC name is [[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
PubChem CID87548544
Molecular FormulaC9H20F2N3+
Molecular Weight208.28 g/mol
Exact Mass208.16
IUPAC Name[[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCC(F)N(C(N(C)C)=[N+](C)C)C(C)F
InChIInChI=1S/C9H20F2N3/c1-7(10)14(8(2)11)9(12(3)4)13(5)6/h7-8H,1-6H3/q+1
InChIKeyDPIGMDZYZXDSDD-UHFFFAOYSA-N
XLogP1.11
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of [[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium (CID 87548544) is [[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium is CC(F)N(C(N(C)C)=[N+](C)C)C(C)F.
What is the InChIKey of [[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is DPIGMDZYZXDSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N3/c1-7(10)14(8(2)11)9(12(3)4)13(5)6/h7-8H,1-6H3/q+1.
What are the key properties of [[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
[[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 208.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 87548544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).