(Z)-3-methanimidoylpent-2-enimidoyl fluoride

C6H9FN2 — CID 143799789

IUPAC(Z)-3-methanimidoylpent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C(\C=N\[H])CC
InChIInChI=1S/C6H9FN2/c1-2-5(4-8)3-6(7)9/h3-4,8-9H,2H2,1H3/b5-3-,8-4+,9-6-
InChIKeyBFJWFOYPGBCDLG-QJPLNOJDSA-N
MW128.15 g/mol
LogP1.92
Rot. Bonds3

About (Z)-3-methanimidoylpent-2-enimidoyl fluoride

(Z)-3-methanimidoylpent-2-enimidoyl fluoride (PubChem CID 143799789) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (Z)-3-methanimidoylpent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-3-methanimidoylpent-2-enimidoyl fluoride
PubChem CID143799789
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(Z)-3-methanimidoylpent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C(\C=N\[H])CC
InChIInChI=1S/C6H9FN2/c1-2-5(4-8)3-6(7)9/h3-4,8-9H,2H2,1H3/b5-3-,8-4+,9-6-
InChIKeyBFJWFOYPGBCDLG-QJPLNOJDSA-N
XLogP1.92
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.92
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-methanimidoylpent-2-enimidoyl fluoride?
The IUPAC name of (Z)-3-methanimidoylpent-2-enimidoyl fluoride (CID 143799789) is (Z)-3-methanimidoylpent-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-3-methanimidoylpent-2-enimidoyl fluoride?
The canonical SMILES for (Z)-3-methanimidoylpent-2-enimidoyl fluoride is [H]/N=C(F)/C=C(\C=N\[H])CC.
What is the InChIKey of (Z)-3-methanimidoylpent-2-enimidoyl fluoride?
The InChIKey is BFJWFOYPGBCDLG-QJPLNOJDSA-N. The full InChI is InChI=1S/C6H9FN2/c1-2-5(4-8)3-6(7)9/h3-4,8-9H,2H2,1H3/b5-3-,8-4+,9-6-.
What are the key properties of (Z)-3-methanimidoylpent-2-enimidoyl fluoride?
(Z)-3-methanimidoylpent-2-enimidoyl fluoride has a molecular weight of 128.15 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methanimidoylpent-2-enimidoyl fluoride is sourced from PubChem (CID 143799789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).