N-[(E)-4-fluorobut-3-en-2-yl]methanimine

C5H8FN — CID 138527663

IUPACN-[(E)-4-fluorobut-3-en-2-yl]methanimine
SMILESC=NC(C)/C=C/F
InChIInChI=1S/C5H8FN/c1-5(7-2)3-4-6/h3-5H,2H2,1H3/b4-3+
InChIKeyHOZSNNOUKHOUKC-ONEGZZNKSA-N
MW101.12 g/mol
LogP1.56
Rot. Bonds2

About N-[(E)-4-fluorobut-3-en-2-yl]methanimine

N-[(E)-4-fluorobut-3-en-2-yl]methanimine (PubChem CID 138527663) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is N-[(E)-4-fluorobut-3-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(E)-4-fluorobut-3-en-2-yl]methanimine
PubChem CID138527663
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC NameN-[(E)-4-fluorobut-3-en-2-yl]methanimine
SMILESC=NC(C)/C=C/F
InChIInChI=1S/C5H8FN/c1-5(7-2)3-4-6/h3-5H,2H2,1H3/b4-3+
InChIKeyHOZSNNOUKHOUKC-ONEGZZNKSA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[(E)-4-fluorobut-3-en-2-yl]methanimine?
The IUPAC name of N-[(E)-4-fluorobut-3-en-2-yl]methanimine (CID 138527663) is N-[(E)-4-fluorobut-3-en-2-yl]methanimine.
What is the SMILES notation for N-[(E)-4-fluorobut-3-en-2-yl]methanimine?
The canonical SMILES for N-[(E)-4-fluorobut-3-en-2-yl]methanimine is C=NC(C)/C=C/F.
What is the InChIKey of N-[(E)-4-fluorobut-3-en-2-yl]methanimine?
The InChIKey is HOZSNNOUKHOUKC-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8FN/c1-5(7-2)3-4-6/h3-5H,2H2,1H3/b4-3+.
What are the key properties of N-[(E)-4-fluorobut-3-en-2-yl]methanimine?
N-[(E)-4-fluorobut-3-en-2-yl]methanimine has a molecular weight of 101.12 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-fluorobut-3-en-2-yl]methanimine is sourced from PubChem (CID 138527663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).