3-fluoro-4-iminobut-2-en-2-amine

C4H7FN2 — CID 152802871

IUPAC3-fluoro-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C(F)=C(C)N
InChIInChI=1S/C4H7FN2/c1-3(7)4(5)2-6/h2,6H,7H2,1H3/b4-3?,6-2+
InChIKeyYYORWUJLOIHWHP-XHFAUNALSA-N
MW102.11 g/mol
LogP0.80
Rot. Bonds1

About 3-fluoro-4-iminobut-2-en-2-amine

3-fluoro-4-iminobut-2-en-2-amine (PubChem CID 152802871) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is 3-fluoro-4-iminobut-2-en-2-amine.

Molecular Properties

Compound Name3-fluoro-4-iminobut-2-en-2-amine
PubChem CID152802871
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name3-fluoro-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C(F)=C(C)N
InChIInChI=1S/C4H7FN2/c1-3(7)4(5)2-6/h2,6H,7H2,1H3/b4-3?,6-2+
InChIKeyYYORWUJLOIHWHP-XHFAUNALSA-N
XLogP0.80
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluoro-4-iminobut-2-en-2-amine?
The IUPAC name of 3-fluoro-4-iminobut-2-en-2-amine (CID 152802871) is 3-fluoro-4-iminobut-2-en-2-amine.
What is the SMILES notation for 3-fluoro-4-iminobut-2-en-2-amine?
The canonical SMILES for 3-fluoro-4-iminobut-2-en-2-amine is [H]/N=C/C(F)=C(C)N.
What is the InChIKey of 3-fluoro-4-iminobut-2-en-2-amine?
The InChIKey is YYORWUJLOIHWHP-XHFAUNALSA-N. The full InChI is InChI=1S/C4H7FN2/c1-3(7)4(5)2-6/h2,6H,7H2,1H3/b4-3?,6-2+.
What are the key properties of 3-fluoro-4-iminobut-2-en-2-amine?
3-fluoro-4-iminobut-2-en-2-amine has a molecular weight of 102.11 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iminobut-2-en-2-amine is sourced from PubChem (CID 152802871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).