(Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine

C6H10FN — CID 142996733

IUPAC(Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine
SMILESC/C=N\C(F)=C/CC
InChIInChI=1S/C6H10FN/c1-3-5-6(7)8-4-2/h4-5H,3H2,1-2H3/b6-5-,8-4-
InChIKeyMQZKWVOPIALADA-QUXRQYFZSA-N
MW115.15 g/mol
LogP2.30
Rot. Bonds2

About (Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine

(Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine (PubChem CID 142996733) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine
PubChem CID142996733
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine
SMILESC/C=N\C(F)=C/CC
InChIInChI=1S/C6H10FN/c1-3-5-6(7)8-4-2/h4-5H,3H2,1-2H3/b6-5-,8-4-
InChIKeyMQZKWVOPIALADA-QUXRQYFZSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine?
The IUPAC name of (Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine (CID 142996733) is (Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine.
What is the SMILES notation for (Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine?
The canonical SMILES for (Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine is C/C=N\C(F)=C/CC.
What is the InChIKey of (Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine?
The InChIKey is MQZKWVOPIALADA-QUXRQYFZSA-N. The full InChI is InChI=1S/C6H10FN/c1-3-5-6(7)8-4-2/h4-5H,3H2,1-2H3/b6-5-,8-4-.
What are the key properties of (Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine?
(Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine has a molecular weight of 115.15 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-fluorobut-1-enyl]ethanimine is sourced from PubChem (CID 142996733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).