(Z)-3-amino-2-methylbut-2-enimidoyl fluoride

C5H9FN2 — CID 138494955

IUPAC(Z)-3-amino-2-methylbut-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(C)=C(/C)N
InChIInChI=1S/C5H9FN2/c1-3(4(2)7)5(6)8/h8H,7H2,1-2H3/b4-3-,8-5-
InChIKeyAUFDRYHIGBBBCL-UBNNFMAXSA-N
MW116.14 g/mol
LogP1.19
Rot. Bonds1

About (Z)-3-amino-2-methylbut-2-enimidoyl fluoride

(Z)-3-amino-2-methylbut-2-enimidoyl fluoride (PubChem CID 138494955) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (Z)-3-amino-2-methylbut-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-3-amino-2-methylbut-2-enimidoyl fluoride
PubChem CID138494955
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(Z)-3-amino-2-methylbut-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(C)=C(/C)N
InChIInChI=1S/C5H9FN2/c1-3(4(2)7)5(6)8/h8H,7H2,1-2H3/b4-3-,8-5-
InChIKeyAUFDRYHIGBBBCL-UBNNFMAXSA-N
XLogP1.19
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
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-amino-2-methylbut-2-enimidoyl fluoride?
The IUPAC name of (Z)-3-amino-2-methylbut-2-enimidoyl fluoride (CID 138494955) is (Z)-3-amino-2-methylbut-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-3-amino-2-methylbut-2-enimidoyl fluoride?
The canonical SMILES for (Z)-3-amino-2-methylbut-2-enimidoyl fluoride is [H]/N=C(F)/C(C)=C(/C)N.
What is the InChIKey of (Z)-3-amino-2-methylbut-2-enimidoyl fluoride?
The InChIKey is AUFDRYHIGBBBCL-UBNNFMAXSA-N. The full InChI is InChI=1S/C5H9FN2/c1-3(4(2)7)5(6)8/h8H,7H2,1-2H3/b4-3-,8-5-.
What are the key properties of (Z)-3-amino-2-methylbut-2-enimidoyl fluoride?
(Z)-3-amino-2-methylbut-2-enimidoyl fluoride has a molecular weight of 116.14 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-methylbut-2-enimidoyl fluoride is sourced from PubChem (CID 138494955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).