N-[(Z)-1-fluorobut-2-en-2-yl]methanimine

C5H8FN — CID 129299402

IUPACN-[(Z)-1-fluorobut-2-en-2-yl]methanimine
SMILESC=N/C(=C\C)CF
InChIInChI=1S/C5H8FN/c1-3-5(4-6)7-2/h3H,2,4H2,1H3/b5-3-
InChIKeyYXIRCOCTTWSWIH-HYXAFXHYSA-N
MW101.12 g/mol
LogP1.56
Rot. Bonds2

About N-[(Z)-1-fluorobut-2-en-2-yl]methanimine

N-[(Z)-1-fluorobut-2-en-2-yl]methanimine (PubChem CID 129299402) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is N-[(Z)-1-fluorobut-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1-fluorobut-2-en-2-yl]methanimine
PubChem CID129299402
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC NameN-[(Z)-1-fluorobut-2-en-2-yl]methanimine
SMILESC=N/C(=C\C)CF
InChIInChI=1S/C5H8FN/c1-3-5(4-6)7-2/h3H,2,4H2,1H3/b5-3-
InChIKeyYXIRCOCTTWSWIH-HYXAFXHYSA-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-[(Z)-1-fluorobut-2-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1-fluorobut-2-en-2-yl]methanimine (CID 129299402) is N-[(Z)-1-fluorobut-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1-fluorobut-2-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1-fluorobut-2-en-2-yl]methanimine is C=N/C(=C\C)CF.
What is the InChIKey of N-[(Z)-1-fluorobut-2-en-2-yl]methanimine?
The InChIKey is YXIRCOCTTWSWIH-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H8FN/c1-3-5(4-6)7-2/h3H,2,4H2,1H3/b5-3-.
What are the key properties of N-[(Z)-1-fluorobut-2-en-2-yl]methanimine?
N-[(Z)-1-fluorobut-2-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-[(Z)-1-fluorobut-2-en-2-yl]methanimine is sourced from PubChem (CID 129299402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).