N-[(E)-2-fluoroprop-1-enyl]ethanimine

C5H8FN — CID 144648793

IUPACN-[(E)-2-fluoroprop-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)F
InChIInChI=1S/C5H8FN/c1-3-7-4-5(2)6/h3-4H,1-2H3/b5-4+,7-3+
InChIKeyQPQHWPGNYCAPQT-JLVHPEPXSA-N
MW101.12 g/mol
LogP1.91
Rot. Bonds1

About N-[(E)-2-fluoroprop-1-enyl]ethanimine

N-[(E)-2-fluoroprop-1-enyl]ethanimine (PubChem CID 144648793) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is N-[(E)-2-fluoroprop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-2-fluoroprop-1-enyl]ethanimine
PubChem CID144648793
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC NameN-[(E)-2-fluoroprop-1-enyl]ethanimine
SMILESC/C=N/C=C(\C)F
InChIInChI=1S/C5H8FN/c1-3-7-4-5(2)6/h3-4H,1-2H3/b5-4+,7-3+
InChIKeyQPQHWPGNYCAPQT-JLVHPEPXSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.91
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)-2-fluoroprop-1-enyl]ethanimine?
The IUPAC name of N-[(E)-2-fluoroprop-1-enyl]ethanimine (CID 144648793) is N-[(E)-2-fluoroprop-1-enyl]ethanimine.
What is the SMILES notation for N-[(E)-2-fluoroprop-1-enyl]ethanimine?
The canonical SMILES for N-[(E)-2-fluoroprop-1-enyl]ethanimine is C/C=N/C=C(\C)F.
What is the InChIKey of N-[(E)-2-fluoroprop-1-enyl]ethanimine?
The InChIKey is QPQHWPGNYCAPQT-JLVHPEPXSA-N. The full InChI is InChI=1S/C5H8FN/c1-3-7-4-5(2)6/h3-4H,1-2H3/b5-4+,7-3+.
What are the key properties of N-[(E)-2-fluoroprop-1-enyl]ethanimine?
N-[(E)-2-fluoroprop-1-enyl]ethanimine has a molecular weight of 101.12 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoroprop-1-enyl]ethanimine is sourced from PubChem (CID 144648793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).