(E)-2-fluoro-3-methyliminobut-1-en-1-amine

C5H9FN2 — CID 142977565

IUPAC(E)-2-fluoro-3-methyliminobut-1-en-1-amine
SMILESC/N=C(C)/C(F)=C\N
InChIInChI=1S/C5H9FN2/c1-4(8-2)5(6)3-7/h3H,7H2,1-2H3/b5-3+,8-4+
InChIKeyAXGJETYBJVYBDR-MSLMYCKWSA-N
MW116.14 g/mol
LogP0.85
Rot. Bonds1

About (E)-2-fluoro-3-methyliminobut-1-en-1-amine

(E)-2-fluoro-3-methyliminobut-1-en-1-amine (PubChem CID 142977565) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (E)-2-fluoro-3-methyliminobut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-fluoro-3-methyliminobut-1-en-1-amine
PubChem CID142977565
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(E)-2-fluoro-3-methyliminobut-1-en-1-amine
SMILESC/N=C(C)/C(F)=C\N
InChIInChI=1S/C5H9FN2/c1-4(8-2)5(6)3-7/h3H,7H2,1-2H3/b5-3+,8-4+
InChIKeyAXGJETYBJVYBDR-MSLMYCKWSA-N
XLogP0.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.85
H-Bond Donors ≤ 51
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 (E)-2-fluoro-3-methyliminobut-1-en-1-amine?
The IUPAC name of (E)-2-fluoro-3-methyliminobut-1-en-1-amine (CID 142977565) is (E)-2-fluoro-3-methyliminobut-1-en-1-amine.
What is the SMILES notation for (E)-2-fluoro-3-methyliminobut-1-en-1-amine?
The canonical SMILES for (E)-2-fluoro-3-methyliminobut-1-en-1-amine is C/N=C(C)/C(F)=C\N.
What is the InChIKey of (E)-2-fluoro-3-methyliminobut-1-en-1-amine?
The InChIKey is AXGJETYBJVYBDR-MSLMYCKWSA-N. The full InChI is InChI=1S/C5H9FN2/c1-4(8-2)5(6)3-7/h3H,7H2,1-2H3/b5-3+,8-4+.
What are the key properties of (E)-2-fluoro-3-methyliminobut-1-en-1-amine?
(E)-2-fluoro-3-methyliminobut-1-en-1-amine has a molecular weight of 116.14 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-methyliminobut-1-en-1-amine is sourced from PubChem (CID 142977565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).