N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine

C7H10FN — CID 166865285

IUPACN-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine
SMILESC/C=C\C(F)=C/N=C/C
InChIInChI=1S/C7H10FN/c1-3-5-7(8)6-9-4-2/h3-6H,1-2H3/b5-3-,7-6+,9-4+
InChIKeyOPWHFKBBJVCNLK-YOJPTRFBSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine

N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine (PubChem CID 166865285) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine
PubChem CID166865285
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine
SMILESC/C=C\C(F)=C/N=C/C
InChIInChI=1S/C7H10FN/c1-3-5-7(8)6-9-4-2/h3-6H,1-2H3/b5-3-,7-6+,9-4+
InChIKeyOPWHFKBBJVCNLK-YOJPTRFBSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine (CID 166865285) is N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine is C/C=C\C(F)=C/N=C/C.
What is the InChIKey of N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine?
The InChIKey is OPWHFKBBJVCNLK-YOJPTRFBSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-5-7(8)6-9-4-2/h3-6H,1-2H3/b5-3-,7-6+,9-4+.
What are the key properties of N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine?
N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]ethanimine is sourced from PubChem (CID 166865285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).