N-[(E)-2-fluorobut-2-enylidene]methanimidamide

C5H7FN2 — CID 129196329

IUPACN-[(E)-2-fluorobut-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C(F)=C\C
InChIInChI=1S/C5H7FN2/c1-2-5(6)3-8-4-7/h2-4,7H,1H3/b5-2+,7-4+,8-3+
InChIKeyUOSREIWHEGGYFA-XSFNRVRHSA-N
MW114.12 g/mol
LogP1.54
Rot. Bonds2

About N-[(E)-2-fluorobut-2-enylidene]methanimidamide

N-[(E)-2-fluorobut-2-enylidene]methanimidamide (PubChem CID 129196329) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is N-[(E)-2-fluorobut-2-enylidene]methanimidamide.

Molecular Properties

Compound NameN-[(E)-2-fluorobut-2-enylidene]methanimidamide
PubChem CID129196329
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC NameN-[(E)-2-fluorobut-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C(F)=C\C
InChIInChI=1S/C5H7FN2/c1-2-5(6)3-8-4-7/h2-4,7H,1H3/b5-2+,7-4+,8-3+
InChIKeyUOSREIWHEGGYFA-XSFNRVRHSA-N
XLogP1.54
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 51.54
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 N-[(E)-2-fluorobut-2-enylidene]methanimidamide?
The IUPAC name of N-[(E)-2-fluorobut-2-enylidene]methanimidamide (CID 129196329) is N-[(E)-2-fluorobut-2-enylidene]methanimidamide.
What is the SMILES notation for N-[(E)-2-fluorobut-2-enylidene]methanimidamide?
The canonical SMILES for N-[(E)-2-fluorobut-2-enylidene]methanimidamide is [H]/N=C/N=C/C(F)=C\C.
What is the InChIKey of N-[(E)-2-fluorobut-2-enylidene]methanimidamide?
The InChIKey is UOSREIWHEGGYFA-XSFNRVRHSA-N. The full InChI is InChI=1S/C5H7FN2/c1-2-5(6)3-8-4-7/h2-4,7H,1H3/b5-2+,7-4+,8-3+.
What are the key properties of N-[(E)-2-fluorobut-2-enylidene]methanimidamide?
N-[(E)-2-fluorobut-2-enylidene]methanimidamide has a molecular weight of 114.12 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluorobut-2-enylidene]methanimidamide is sourced from PubChem (CID 129196329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).