N-ethylidene-N'-methylcarbamimidoyl fluoride

C4H7FN2 — CID 174034972

IUPACN-ethylidene-N'-methylcarbamimidoyl fluoride
SMILESCC=N/C(F)=N/C
InChIInChI=1S/C4H7FN2/c1-3-7-4(5)6-2/h3H,1-2H3/b6-4+,7-3?
InChIKeyUIARZNIUSBMDKZ-AYPPTXKOSA-N
MW102.11 g/mol
LogP1.03
Rot. Bonds

About N-ethylidene-N'-methylcarbamimidoyl fluoride

N-ethylidene-N'-methylcarbamimidoyl fluoride (PubChem CID 174034972) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is N-ethylidene-N'-methylcarbamimidoyl fluoride.

Molecular Properties

Compound NameN-ethylidene-N'-methylcarbamimidoyl fluoride
PubChem CID174034972
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC NameN-ethylidene-N'-methylcarbamimidoyl fluoride
SMILESCC=N/C(F)=N/C
InChIInChI=1S/C4H7FN2/c1-3-7-4(5)6-2/h3H,1-2H3/b6-4+,7-3?
InChIKeyUIARZNIUSBMDKZ-AYPPTXKOSA-N
XLogP1.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 51.03
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-ethylidene-N'-methylcarbamimidoyl fluoride?
The IUPAC name of N-ethylidene-N'-methylcarbamimidoyl fluoride (CID 174034972) is N-ethylidene-N'-methylcarbamimidoyl fluoride.
What is the SMILES notation for N-ethylidene-N'-methylcarbamimidoyl fluoride?
The canonical SMILES for N-ethylidene-N'-methylcarbamimidoyl fluoride is CC=N/C(F)=N/C.
What is the InChIKey of N-ethylidene-N'-methylcarbamimidoyl fluoride?
The InChIKey is UIARZNIUSBMDKZ-AYPPTXKOSA-N. The full InChI is InChI=1S/C4H7FN2/c1-3-7-4(5)6-2/h3H,1-2H3/b6-4+,7-3?.
What are the key properties of N-ethylidene-N'-methylcarbamimidoyl fluoride?
N-ethylidene-N'-methylcarbamimidoyl fluoride has a molecular weight of 102.11 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-methylcarbamimidoyl fluoride is sourced from PubChem (CID 174034972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).