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

C5H8FN — CID 174073276

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

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

N-[(E)-1-fluoroprop-1-enyl]ethanimine (PubChem CID 174073276) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is N-[(E)-1-fluoroprop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-1-fluoroprop-1-enyl]ethanimine
PubChem CID174073276
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC NameN-[(E)-1-fluoroprop-1-enyl]ethanimine
SMILESCC=N/C(F)=C\C
InChIInChI=1S/C5H8FN/c1-3-5(6)7-4-2/h3-4H,1-2H3/b5-3-,7-4?
InChIKeyQPNDKHCBPAPYDF-JLZHNKSKSA-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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]ethanimine
CID 117817156
N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine
CID 122647093
N-(1-fluoroethenyl)ethanimine
CID 123218479
N-(1-fluoroprop-1-enyl)ethanimine
CID 123583069
N-(2-fluoroprop-1-enyl)ethanimine
CID 123691073
N-(1-fluoroethenyl)propan-1-imine
CID 123909746
N-(1,1,1-trifluorobut-2-en-2-yl)ethanimine
CID 123935366
N-(1-fluoroprop-1-enyl)propan-1-imine
CID 123958310
N-[(E)-2-fluoroprop-1-enyl]ethanimine
CID 144648793
N-[(1E)-1-fluorobuta-1,3-dienyl]ethanimine
CID 164085594
N-(3-fluoroprop-1-en-2-yl)ethanimine
CID 167049376
N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine
CID 173467536

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-fluoroprop-1-enyl]ethanimine?
The IUPAC name of N-[(E)-1-fluoroprop-1-enyl]ethanimine (CID 174073276) is N-[(E)-1-fluoroprop-1-enyl]ethanimine.
What is the SMILES notation for N-[(E)-1-fluoroprop-1-enyl]ethanimine?
The canonical SMILES for N-[(E)-1-fluoroprop-1-enyl]ethanimine is CC=N/C(F)=C\C.
What is the InChIKey of N-[(E)-1-fluoroprop-1-enyl]ethanimine?
The InChIKey is QPNDKHCBPAPYDF-JLZHNKSKSA-N. The full InChI is InChI=1S/C5H8FN/c1-3-5(6)7-4-2/h3-4H,1-2H3/b5-3-,7-4?.
What are the key properties of N-[(E)-1-fluoroprop-1-enyl]ethanimine?
N-[(E)-1-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)-1-fluoroprop-1-enyl]ethanimine is sourced from PubChem (CID 174073276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).