N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride

C4H6FN3 — CID 123707874

IUPACN'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride
SMILES[H]/N=C(C)/N=C(\F)N=C
InChIInChI=1S/C4H6FN3/c1-3(6)8-4(5)7-2/h6H,2H2,1H3/b6-3+,8-4+
InChIKeyDAFHNTHZXXGIGT-PHQNLGIASA-N
MW115.11 g/mol
LogP1.01
Rot. Bonds

About N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride

N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride (PubChem CID 123707874) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride.

Molecular Properties

Compound NameN'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride
PubChem CID123707874
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC NameN'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride
SMILES[H]/N=C(C)/N=C(\F)N=C
InChIInChI=1S/C4H6FN3/c1-3(6)8-4(5)7-2/h6H,2H2,1H3/b6-3+,8-4+
InChIKeyDAFHNTHZXXGIGT-PHQNLGIASA-N
XLogP1.01
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 51.01
H-Bond Donors ≤ 51
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'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride?
The IUPAC name of N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride (CID 123707874) is N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride.
What is the SMILES notation for N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride?
The canonical SMILES for N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride is [H]/N=C(C)/N=C(\F)N=C.
What is the InChIKey of N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride?
The InChIKey is DAFHNTHZXXGIGT-PHQNLGIASA-N. The full InChI is InChI=1S/C4H6FN3/c1-3(6)8-4(5)7-2/h6H,2H2,1H3/b6-3+,8-4+.
What are the key properties of N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride?
N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride has a molecular weight of 115.11 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethanimidoyl-N-methylidenecarbamimidoyl fluoride is sourced from PubChem (CID 123707874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).