N-(1-aminoethylidene)carbamimidoyl fluoride

C3H6FN3 — CID 153169428

IUPACN-(1-aminoethylidene)carbamimidoyl fluoride
SMILES[H]/N=C(\F)N=C(C)N
InChIInChI=1S/C3H6FN3/c1-2(5)7-3(4)6/h1H3,(H3,5,6,7)
InChIKeyWDXJRRWSENWFFW-UHFFFAOYSA-N
MW103.10 g/mol
LogP0.27
Rot. Bonds

About N-(1-aminoethylidene)carbamimidoyl fluoride

N-(1-aminoethylidene)carbamimidoyl fluoride (PubChem CID 153169428) has the molecular formula C3H6FN3 and a molecular weight of 103.10 g/mol. Its IUPAC name is N-(1-aminoethylidene)carbamimidoyl fluoride.

Molecular Properties

Compound NameN-(1-aminoethylidene)carbamimidoyl fluoride
PubChem CID153169428
Molecular FormulaC3H6FN3
Molecular Weight103.10 g/mol
Exact Mass103.05
IUPAC NameN-(1-aminoethylidene)carbamimidoyl fluoride
SMILES[H]/N=C(\F)N=C(C)N
InChIInChI=1S/C3H6FN3/c1-2(5)7-3(4)6/h1H3,(H3,5,6,7)
InChIKeyWDXJRRWSENWFFW-UHFFFAOYSA-N
XLogP0.27
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 50.27
H-Bond Donors ≤ 52
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-(1-aminoethylidene)carbamimidoyl fluoride?
The IUPAC name of N-(1-aminoethylidene)carbamimidoyl fluoride (CID 153169428) is N-(1-aminoethylidene)carbamimidoyl fluoride.
What is the SMILES notation for N-(1-aminoethylidene)carbamimidoyl fluoride?
The canonical SMILES for N-(1-aminoethylidene)carbamimidoyl fluoride is [H]/N=C(\F)N=C(C)N.
What is the InChIKey of N-(1-aminoethylidene)carbamimidoyl fluoride?
The InChIKey is WDXJRRWSENWFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FN3/c1-2(5)7-3(4)6/h1H3,(H3,5,6,7).
What are the key properties of N-(1-aminoethylidene)carbamimidoyl fluoride?
N-(1-aminoethylidene)carbamimidoyl fluoride has a molecular weight of 103.10 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)carbamimidoyl fluoride is sourced from PubChem (CID 153169428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).