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

C3H5FN2 — CID 143940668

IUPAC(E)-2-fluoro-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(F)=C\N
InChIInChI=1S/C3H5FN2/c4-3(1-5)2-6/h1-2,5H,6H2/b3-2+,5-1+
InChIKeyMDKKSVUUPAUNKB-KQRCDPSGSA-N
MW88.08 g/mol
LogP0.41
Rot. Bonds1

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

(E)-2-fluoro-3-iminoprop-1-en-1-amine (PubChem CID 143940668) has the molecular formula C3H5FN2 and a molecular weight of 88.08 g/mol. Its IUPAC name is (E)-2-fluoro-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-fluoro-3-iminoprop-1-en-1-amine
PubChem CID143940668
Molecular FormulaC3H5FN2
Molecular Weight88.08 g/mol
Exact Mass88.04
IUPAC Name(E)-2-fluoro-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(F)=C\N
InChIInChI=1S/C3H5FN2/c4-3(1-5)2-6/h1-2,5H,6H2/b3-2+,5-1+
InChIKeyMDKKSVUUPAUNKB-KQRCDPSGSA-N
XLogP0.41
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 50.41
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 (E)-2-fluoro-3-iminoprop-1-en-1-amine?
The IUPAC name of (E)-2-fluoro-3-iminoprop-1-en-1-amine (CID 143940668) is (E)-2-fluoro-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-fluoro-3-iminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-fluoro-3-iminoprop-1-en-1-amine is [H]/N=C/C(F)=C\N.
What is the InChIKey of (E)-2-fluoro-3-iminoprop-1-en-1-amine?
The InChIKey is MDKKSVUUPAUNKB-KQRCDPSGSA-N. The full InChI is InChI=1S/C3H5FN2/c4-3(1-5)2-6/h1-2,5H,6H2/b3-2+,5-1+.
What are the key properties of (E)-2-fluoro-3-iminoprop-1-en-1-amine?
(E)-2-fluoro-3-iminoprop-1-en-1-amine has a molecular weight of 88.08 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 143940668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).