(E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine

C5H9FN2 — CID 89000223

IUPAC(E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine
SMILES[H]/N=C/CNC/C=C/F
InChIInChI=1S/C5H9FN2/c6-2-1-4-8-5-3-7/h1-3,7-8H,4-5H2/b2-1+,7-3+
InChIKeyCYKLQWDXHSKSJV-WMWQKROPSA-N
MW116.14 g/mol
LogP0.71
Rot. Bonds4

About (E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine

(E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine (PubChem CID 89000223) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine
PubChem CID89000223
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine
SMILES[H]/N=C/CNC/C=C/F
InChIInChI=1S/C5H9FN2/c6-2-1-4-8-5-3-7/h1-3,7-8H,4-5H2/b2-1+,7-3+
InChIKeyCYKLQWDXHSKSJV-WMWQKROPSA-N
XLogP0.71
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine (CID 89000223) is (E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine is [H]/N=C/CNC/C=C/F.
What is the InChIKey of (E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine?
The InChIKey is CYKLQWDXHSKSJV-WMWQKROPSA-N. The full InChI is InChI=1S/C5H9FN2/c6-2-1-4-8-5-3-7/h1-3,7-8H,4-5H2/b2-1+,7-3+.
What are the key properties of (E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine?
(E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine has a molecular weight of 116.14 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-(2-iminoethyl)prop-2-en-1-amine is sourced from PubChem (CID 89000223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).