(2Z)-N-methylpenta-2,4-dienimidoyl fluoride

C6H8FN — CID 139386586

IUPAC(2Z)-N-methylpenta-2,4-dienimidoyl fluoride
SMILESC=C/C=C\C(F)=N\C
InChIInChI=1S/C6H8FN/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3/b5-4-,8-6-
InChIKeyHGNOYPYPIBNICV-NADLECRISA-N
MW113.13 g/mol
LogP1.73
Rot. Bonds2

About (2Z)-N-methylpenta-2,4-dienimidoyl fluoride

(2Z)-N-methylpenta-2,4-dienimidoyl fluoride (PubChem CID 139386586) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (2Z)-N-methylpenta-2,4-dienimidoyl fluoride.

Molecular Properties

Compound Name(2Z)-N-methylpenta-2,4-dienimidoyl fluoride
PubChem CID139386586
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(2Z)-N-methylpenta-2,4-dienimidoyl fluoride
SMILESC=C/C=C\C(F)=N\C
InChIInChI=1S/C6H8FN/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3/b5-4-,8-6-
InChIKeyHGNOYPYPIBNICV-NADLECRISA-N
XLogP1.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methylpenta-2,4-dienimidoyl fluoride?
The IUPAC name of (2Z)-N-methylpenta-2,4-dienimidoyl fluoride (CID 139386586) is (2Z)-N-methylpenta-2,4-dienimidoyl fluoride.
What is the SMILES notation for (2Z)-N-methylpenta-2,4-dienimidoyl fluoride?
The canonical SMILES for (2Z)-N-methylpenta-2,4-dienimidoyl fluoride is C=C/C=C\C(F)=N\C.
What is the InChIKey of (2Z)-N-methylpenta-2,4-dienimidoyl fluoride?
The InChIKey is HGNOYPYPIBNICV-NADLECRISA-N. The full InChI is InChI=1S/C6H8FN/c1-3-4-5-6(7)8-2/h3-5H,1H2,2H3/b5-4-,8-6-.
What are the key properties of (2Z)-N-methylpenta-2,4-dienimidoyl fluoride?
(2Z)-N-methylpenta-2,4-dienimidoyl fluoride has a molecular weight of 113.13 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methylpenta-2,4-dienimidoyl fluoride is sourced from PubChem (CID 139386586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).