(Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride

C5H8FN3 — CID 88953588

IUPAC(Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C\C(N)=N\C
InChIInChI=1S/C5H8FN3/c1-9-5(8)3-2-4(6)7/h2-3,7H,1H3,(H2,8,9)/b3-2-,7-4-
InChIKeyIZVSJJAWKMTPGZ-JXPISWCDSA-N
MW129.14 g/mol
LogP0.48
Rot. Bonds2

About (Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride

(Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride (PubChem CID 88953588) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is (Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride
PubChem CID88953588
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name(Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C\C(N)=N\C
InChIInChI=1S/C5H8FN3/c1-9-5(8)3-2-4(6)7/h2-3,7H,1H3,(H2,8,9)/b3-2-,7-4-
InChIKeyIZVSJJAWKMTPGZ-JXPISWCDSA-N
XLogP0.48
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride?
The IUPAC name of (Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride (CID 88953588) is (Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride?
The canonical SMILES for (Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride is [H]/N=C(F)/C=C\C(N)=N\C.
What is the InChIKey of (Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride?
The InChIKey is IZVSJJAWKMTPGZ-JXPISWCDSA-N. The full InChI is InChI=1S/C5H8FN3/c1-9-5(8)3-2-4(6)7/h2-3,7H,1H3,(H2,8,9)/b3-2-,7-4-.
What are the key properties of (Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride?
(Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride has a molecular weight of 129.14 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-4-methyliminobut-2-enimidoyl fluoride is sourced from PubChem (CID 88953588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).