(Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride

C8H15FN2 — CID 146392601

IUPAC(Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C(/CC)C(C)NC
InChIInChI=1S/C8H15FN2/c1-4-7(5-8(9)10)6(2)11-3/h5-6,10-11H,4H2,1-3H3/b7-5-,10-8-
InChIKeyYQNQRSDNYMBFEN-RRMOSLQNSA-N
MW158.22 g/mol
LogP1.88
Rot. Bonds4

About (Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride

(Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride (PubChem CID 146392601) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride
PubChem CID146392601
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C=C(/CC)C(C)NC
InChIInChI=1S/C8H15FN2/c1-4-7(5-8(9)10)6(2)11-3/h5-6,10-11H,4H2,1-3H3/b7-5-,10-8-
InChIKeyYQNQRSDNYMBFEN-RRMOSLQNSA-N
XLogP1.88
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.88
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-ethyl-4-(methylamino)pent-2-enimidoyl fluoride?
The IUPAC name of (Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride (CID 146392601) is (Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride?
The canonical SMILES for (Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride is [H]/N=C(F)/C=C(/CC)C(C)NC.
What is the InChIKey of (Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride?
The InChIKey is YQNQRSDNYMBFEN-RRMOSLQNSA-N. The full InChI is InChI=1S/C8H15FN2/c1-4-7(5-8(9)10)6(2)11-3/h5-6,10-11H,4H2,1-3H3/b7-5-,10-8-.
What are the key properties of (Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride?
(Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride has a molecular weight of 158.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-4-(methylamino)pent-2-enimidoyl fluoride is sourced from PubChem (CID 146392601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).