(Z)-3-(methylideneamino)prop-2-enimidoyl fluoride

C4H5FN2 — CID 89271572

IUPAC(Z)-3-(methylideneamino)prop-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C\N=C
InChIInChI=1S/C4H5FN2/c1-7-3-2-4(5)6/h2-3,6H,1H2/b3-2-,6-4-
InChIKeyBUMWLWWHHBCPOD-BXAWZMCCSA-N
MW100.10 g/mol
LogP1.15
Rot. Bonds2

About (Z)-3-(methylideneamino)prop-2-enimidoyl fluoride

(Z)-3-(methylideneamino)prop-2-enimidoyl fluoride (PubChem CID 89271572) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is (Z)-3-(methylideneamino)prop-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-3-(methylideneamino)prop-2-enimidoyl fluoride
PubChem CID89271572
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name(Z)-3-(methylideneamino)prop-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C\N=C
InChIInChI=1S/C4H5FN2/c1-7-3-2-4(5)6/h2-3,6H,1H2/b3-2-,6-4-
InChIKeyBUMWLWWHHBCPOD-BXAWZMCCSA-N
XLogP1.15
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methylideneamino)prop-2-enimidoyl fluoride?
The IUPAC name of (Z)-3-(methylideneamino)prop-2-enimidoyl fluoride (CID 89271572) is (Z)-3-(methylideneamino)prop-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-3-(methylideneamino)prop-2-enimidoyl fluoride?
The canonical SMILES for (Z)-3-(methylideneamino)prop-2-enimidoyl fluoride is [H]/N=C(F)/C=C\N=C.
What is the InChIKey of (Z)-3-(methylideneamino)prop-2-enimidoyl fluoride?
The InChIKey is BUMWLWWHHBCPOD-BXAWZMCCSA-N. The full InChI is InChI=1S/C4H5FN2/c1-7-3-2-4(5)6/h2-3,6H,1H2/b3-2-,6-4-.
What are the key properties of (Z)-3-(methylideneamino)prop-2-enimidoyl fluoride?
(Z)-3-(methylideneamino)prop-2-enimidoyl fluoride has a molecular weight of 100.10 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylideneamino)prop-2-enimidoyl fluoride is sourced from PubChem (CID 89271572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).