N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride

C5H10FN3 — CID 146392577

IUPACN-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride
SMILESCC/N=C(\F)N/C=C\N
InChIInChI=1S/C5H10FN3/c1-2-8-5(6)9-4-3-7/h3-4H,2,7H2,1H3,(H,8,9)/b4-3-
InChIKeyHOUSOZZZXHAWBT-ARJAWSKDSA-N
MW131.15 g/mol
LogP0.35
Rot. Bonds2

About N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride

N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride (PubChem CID 146392577) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride.

Molecular Properties

Compound NameN-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride
PubChem CID146392577
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC NameN-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride
SMILESCC/N=C(\F)N/C=C\N
InChIInChI=1S/C5H10FN3/c1-2-8-5(6)9-4-3-7/h3-4H,2,7H2,1H3,(H,8,9)/b4-3-
InChIKeyHOUSOZZZXHAWBT-ARJAWSKDSA-N
XLogP0.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride?
The IUPAC name of N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride (CID 146392577) is N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride.
What is the SMILES notation for N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride?
The canonical SMILES for N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride is CC/N=C(\F)N/C=C\N.
What is the InChIKey of N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride?
The InChIKey is HOUSOZZZXHAWBT-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H10FN3/c1-2-8-5(6)9-4-3-7/h3-4H,2,7H2,1H3,(H,8,9)/b4-3-.
What are the key properties of N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride?
N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride has a molecular weight of 131.15 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-aminoethenyl]-N'-ethylcarbamimidoyl fluoride is sourced from PubChem (CID 146392577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).