2-fluoro-3-methylbut-2-en-1-imine

C5H8FN — CID 89416366

IUPAC2-fluoro-3-methylbut-2-en-1-imine
SMILES[H]/N=C/C(F)=C(C)C
InChIInChI=1S/C5H8FN/c1-4(2)5(6)3-7/h3,7H,1-2H3/b7-3+
InChIKeyDBHSOYGJKZYDIG-XVNBXDOJSA-N
MW101.12 g/mol
LogP1.90
Rot. Bonds1

About 2-fluoro-3-methylbut-2-en-1-imine

2-fluoro-3-methylbut-2-en-1-imine (PubChem CID 89416366) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 2-fluoro-3-methylbut-2-en-1-imine.

Molecular Properties

Compound Name2-fluoro-3-methylbut-2-en-1-imine
PubChem CID89416366
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name2-fluoro-3-methylbut-2-en-1-imine
SMILES[H]/N=C/C(F)=C(C)C
InChIInChI=1S/C5H8FN/c1-4(2)5(6)3-7/h3,7H,1-2H3/b7-3+
InChIKeyDBHSOYGJKZYDIG-XVNBXDOJSA-N
XLogP1.90
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.90
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 2-fluoro-3-methylbut-2-en-1-imine?
The IUPAC name of 2-fluoro-3-methylbut-2-en-1-imine (CID 89416366) is 2-fluoro-3-methylbut-2-en-1-imine.
What is the SMILES notation for 2-fluoro-3-methylbut-2-en-1-imine?
The canonical SMILES for 2-fluoro-3-methylbut-2-en-1-imine is [H]/N=C/C(F)=C(C)C.
What is the InChIKey of 2-fluoro-3-methylbut-2-en-1-imine?
The InChIKey is DBHSOYGJKZYDIG-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H8FN/c1-4(2)5(6)3-7/h3,7H,1-2H3/b7-3+.
What are the key properties of 2-fluoro-3-methylbut-2-en-1-imine?
2-fluoro-3-methylbut-2-en-1-imine has a molecular weight of 101.12 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylbut-2-en-1-imine is sourced from PubChem (CID 89416366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).