2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine

C7H8FN — CID 142996699

IUPAC2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine
SMILESC#CC/C=C\N=C\CF
InChIInChI=1S/C7H8FN/c1-2-3-4-6-9-7-5-8/h1,4,6-7H,3,5H2/b6-4-,9-7+
InChIKeyGURSOOBKLMXVRZ-UNQQQNFISA-N
MW125.15 g/mol
LogP1.56
Rot. Bonds3

About 2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine

2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine (PubChem CID 142996699) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is 2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine.

Molecular Properties

Compound Name2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine
PubChem CID142996699
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine
SMILESC#CC/C=C\N=C\CF
InChIInChI=1S/C7H8FN/c1-2-3-4-6-9-7-5-8/h1,4,6-7H,3,5H2/b6-4-,9-7+
InChIKeyGURSOOBKLMXVRZ-UNQQQNFISA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine?
The IUPAC name of 2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine (CID 142996699) is 2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine.
What is the SMILES notation for 2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine?
The canonical SMILES for 2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine is C#CC/C=C\N=C\CF.
What is the InChIKey of 2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine?
The InChIKey is GURSOOBKLMXVRZ-UNQQQNFISA-N. The full InChI is InChI=1S/C7H8FN/c1-2-3-4-6-9-7-5-8/h1,4,6-7H,3,5H2/b6-4-,9-7+.
What are the key properties of 2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine?
2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine has a molecular weight of 125.15 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine is sourced from PubChem (CID 142996699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).