(E)-4-fluoro-N-methoxybutan-2-imine

C5H10FNO — CID 89083320

IUPAC(E)-4-fluoro-N-methoxybutan-2-imine
SMILESCO/N=C(\C)CCF
InChIInChI=1S/C5H10FNO/c1-5(3-4-6)7-8-2/h3-4H2,1-2H3/b7-5+
InChIKeyCZICJCKOYUBHTA-FNORWQNLSA-N
MW119.14 g/mol
LogP1.37
Rot. Bonds3

About (E)-4-fluoro-N-methoxybutan-2-imine

(E)-4-fluoro-N-methoxybutan-2-imine (PubChem CID 89083320) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is (E)-4-fluoro-N-methoxybutan-2-imine.

Molecular Properties

Compound Name(E)-4-fluoro-N-methoxybutan-2-imine
PubChem CID89083320
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name(E)-4-fluoro-N-methoxybutan-2-imine
SMILESCO/N=C(\C)CCF
InChIInChI=1S/C5H10FNO/c1-5(3-4-6)7-8-2/h3-4H2,1-2H3/b7-5+
InChIKeyCZICJCKOYUBHTA-FNORWQNLSA-N
XLogP1.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-N-methoxybutan-2-imine?
The IUPAC name of (E)-4-fluoro-N-methoxybutan-2-imine (CID 89083320) is (E)-4-fluoro-N-methoxybutan-2-imine.
What is the SMILES notation for (E)-4-fluoro-N-methoxybutan-2-imine?
The canonical SMILES for (E)-4-fluoro-N-methoxybutan-2-imine is CO/N=C(\C)CCF.
What is the InChIKey of (E)-4-fluoro-N-methoxybutan-2-imine?
The InChIKey is CZICJCKOYUBHTA-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10FNO/c1-5(3-4-6)7-8-2/h3-4H2,1-2H3/b7-5+.
What are the key properties of (E)-4-fluoro-N-methoxybutan-2-imine?
(E)-4-fluoro-N-methoxybutan-2-imine has a molecular weight of 119.14 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-N-methoxybutan-2-imine is sourced from PubChem (CID 89083320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).