(E)-N'-ethyl-2-fluorobut-2-enimidamide

C6H11FN2 — CID 143915576

IUPAC(E)-N'-ethyl-2-fluorobut-2-enimidamide
SMILESC/C=C(F)\C(N)=N\CC
InChIInChI=1S/C6H11FN2/c1-3-5(7)6(8)9-4-2/h3H,4H2,1-2H3,(H2,8,9)/b5-3+
InChIKeyGOSPFKRWGZOLRF-HWKANZROSA-N
MW130.17 g/mol
LogP1.24
Rot. Bonds2

About (E)-N'-ethyl-2-fluorobut-2-enimidamide

(E)-N'-ethyl-2-fluorobut-2-enimidamide (PubChem CID 143915576) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (E)-N'-ethyl-2-fluorobut-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-ethyl-2-fluorobut-2-enimidamide
PubChem CID143915576
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(E)-N'-ethyl-2-fluorobut-2-enimidamide
SMILESC/C=C(F)\C(N)=N\CC
InChIInChI=1S/C6H11FN2/c1-3-5(7)6(8)9-4-2/h3H,4H2,1-2H3,(H2,8,9)/b5-3+
InChIKeyGOSPFKRWGZOLRF-HWKANZROSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-N'-ethyl-2-fluorobut-2-enimidamide?
The IUPAC name of (E)-N'-ethyl-2-fluorobut-2-enimidamide (CID 143915576) is (E)-N'-ethyl-2-fluorobut-2-enimidamide.
What is the SMILES notation for (E)-N'-ethyl-2-fluorobut-2-enimidamide?
The canonical SMILES for (E)-N'-ethyl-2-fluorobut-2-enimidamide is C/C=C(F)\C(N)=N\CC.
What is the InChIKey of (E)-N'-ethyl-2-fluorobut-2-enimidamide?
The InChIKey is GOSPFKRWGZOLRF-HWKANZROSA-N. The full InChI is InChI=1S/C6H11FN2/c1-3-5(7)6(8)9-4-2/h3H,4H2,1-2H3,(H2,8,9)/b5-3+.
What are the key properties of (E)-N'-ethyl-2-fluorobut-2-enimidamide?
(E)-N'-ethyl-2-fluorobut-2-enimidamide has a molecular weight of 130.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethyl-2-fluorobut-2-enimidamide is sourced from PubChem (CID 143915576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).