(Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride

C5H7F2N — CID 139386565

IUPAC(Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride
SMILESC/N=C(F)/C=C\CF
InChIInChI=1S/C5H7F2N/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2-,8-5-
InChIKeyOKLHQUQXVKBQRI-FKVZMRKJSA-N
MW119.11 g/mol
LogP1.51
Rot. Bonds2

About (Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride

(Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride (PubChem CID 139386565) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is (Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride
PubChem CID139386565
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name(Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride
SMILESC/N=C(F)/C=C\CF
InChIInChI=1S/C5H7F2N/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2-,8-5-
InChIKeyOKLHQUQXVKBQRI-FKVZMRKJSA-N
XLogP1.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-4-fluoro-N-methylbut-2-enimidoyl fluoride?
The IUPAC name of (Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride (CID 139386565) is (Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride?
The canonical SMILES for (Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride is C/N=C(F)/C=C\CF.
What is the InChIKey of (Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride?
The InChIKey is OKLHQUQXVKBQRI-FKVZMRKJSA-N. The full InChI is InChI=1S/C5H7F2N/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2-,8-5-.
What are the key properties of (Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride?
(Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride has a molecular weight of 119.11 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-N-methylbut-2-enimidoyl fluoride is sourced from PubChem (CID 139386565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).