3-fluorobutan-2-imine

C4H8FN — CID 123892866

IUPAC3-fluorobutan-2-imine
SMILES[H]/N=C(\C)C(C)F
InChIInChI=1S/C4H8FN/c1-3(5)4(2)6/h3,6H,1-2H3/b6-4+
InChIKeyMTRAGNZWNPBYBK-GQCTYLIASA-N
MW89.11 g/mol
LogP1.38
Rot. Bonds1

About 3-fluorobutan-2-imine

3-fluorobutan-2-imine (PubChem CID 123892866) has the molecular formula C4H8FN and a molecular weight of 89.11 g/mol. Its IUPAC name is 3-fluorobutan-2-imine.

Molecular Properties

Compound Name3-fluorobutan-2-imine
PubChem CID123892866
Molecular FormulaC4H8FN
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC Name3-fluorobutan-2-imine
SMILES[H]/N=C(\C)C(C)F
InChIInChI=1S/C4H8FN/c1-3(5)4(2)6/h3,6H,1-2H3/b6-4+
InChIKeyMTRAGNZWNPBYBK-GQCTYLIASA-N
XLogP1.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.11
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluorobutan-2-imine?
The IUPAC name of 3-fluorobutan-2-imine (CID 123892866) is 3-fluorobutan-2-imine.
What is the SMILES notation for 3-fluorobutan-2-imine?
The canonical SMILES for 3-fluorobutan-2-imine is [H]/N=C(\C)C(C)F.
What is the InChIKey of 3-fluorobutan-2-imine?
The InChIKey is MTRAGNZWNPBYBK-GQCTYLIASA-N. The full InChI is InChI=1S/C4H8FN/c1-3(5)4(2)6/h3,6H,1-2H3/b6-4+.
What are the key properties of 3-fluorobutan-2-imine?
3-fluorobutan-2-imine has a molecular weight of 89.11 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobutan-2-imine is sourced from PubChem (CID 123892866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).