(Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride

C8H13FN2 — CID 146392872

IUPAC(Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C(C(\C)=N\[H])/C(C)C
InChIInChI=1S/C8H13FN2/c1-5(2)7(6(3)10)4-8(9)11/h4-5,10-11H,1-3H3/b7-4-,10-6+,11-8-
InChIKeyVRJQZJXUILALNL-DHOBGTKESA-N
MW156.20 g/mol
LogP2.56
Rot. Bonds3

About (Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride

(Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride (PubChem CID 146392872) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is (Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride
PubChem CID146392872
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name(Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C(C(\C)=N\[H])/C(C)C
InChIInChI=1S/C8H13FN2/c1-5(2)7(6(3)10)4-8(9)11/h4-5,10-11H,1-3H3/b7-4-,10-6+,11-8-
InChIKeyVRJQZJXUILALNL-DHOBGTKESA-N
XLogP2.56
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.56
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-ethanimidoyl-4-methylpent-2-enimidoyl fluoride?
The IUPAC name of (Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride (CID 146392872) is (Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride?
The canonical SMILES for (Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride is [H]/N=C(F)/C=C(C(\C)=N\[H])/C(C)C.
What is the InChIKey of (Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride?
The InChIKey is VRJQZJXUILALNL-DHOBGTKESA-N. The full InChI is InChI=1S/C8H13FN2/c1-5(2)7(6(3)10)4-8(9)11/h4-5,10-11H,1-3H3/b7-4-,10-6+,11-8-.
What are the key properties of (Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride?
(Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride has a molecular weight of 156.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethanimidoyl-4-methylpent-2-enimidoyl fluoride is sourced from PubChem (CID 146392872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).