N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride

C5H9FN2 — CID 139481028

IUPACN'-ethenyl-N,N-dimethylcarbamimidoyl fluoride
SMILESC=C/N=C(\F)N(C)C
InChIInChI=1S/C5H9FN2/c1-4-7-5(6)8(2)3/h4H,1H2,2-3H3/b7-5+
InChIKeyGQBDLVMKTIIEIS-FNORWQNLSA-N
MW116.14 g/mol
LogP1.02
Rot. Bonds1

About N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride

N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride (PubChem CID 139481028) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride.

Molecular Properties

Compound NameN'-ethenyl-N,N-dimethylcarbamimidoyl fluoride
PubChem CID139481028
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC NameN'-ethenyl-N,N-dimethylcarbamimidoyl fluoride
SMILESC=C/N=C(\F)N(C)C
InChIInChI=1S/C5H9FN2/c1-4-7-5(6)8(2)3/h4H,1H2,2-3H3/b7-5+
InChIKeyGQBDLVMKTIIEIS-FNORWQNLSA-N
XLogP1.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride?
The IUPAC name of N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride (CID 139481028) is N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride.
What is the SMILES notation for N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride?
The canonical SMILES for N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride is C=C/N=C(\F)N(C)C.
What is the InChIKey of N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride?
The InChIKey is GQBDLVMKTIIEIS-FNORWQNLSA-N. The full InChI is InChI=1S/C5H9FN2/c1-4-7-5(6)8(2)3/h4H,1H2,2-3H3/b7-5+.
What are the key properties of N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride?
N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride has a molecular weight of 116.14 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N,N-dimethylcarbamimidoyl fluoride is sourced from PubChem (CID 139481028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).