(E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine

C6H11FN2 — CID 178008288

IUPAC(E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine
SMILESCC/N=C/C(=C\N)CF
InChIInChI=1S/C6H11FN2/c1-2-9-5-6(3-7)4-8/h4-5H,2-3,8H2,1H3/b6-4-,9-5+
InChIKeyVBJANIROZAQHKY-QUNSIMLLSA-N
MW130.17 g/mol
LogP0.89
Rot. Bonds3

About (E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine

(E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine (PubChem CID 178008288) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine
PubChem CID178008288
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine
SMILESCC/N=C/C(=C\N)CF
InChIInChI=1S/C6H11FN2/c1-2-9-5-6(3-7)4-8/h4-5H,2-3,8H2,1H3/b6-4-,9-5+
InChIKeyVBJANIROZAQHKY-QUNSIMLLSA-N
XLogP0.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.89
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-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine?
The IUPAC name of (E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine (CID 178008288) is (E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine.
What is the SMILES notation for (E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine?
The canonical SMILES for (E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine is CC/N=C/C(=C\N)CF.
What is the InChIKey of (E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine?
The InChIKey is VBJANIROZAQHKY-QUNSIMLLSA-N. The full InChI is InChI=1S/C6H11FN2/c1-2-9-5-6(3-7)4-8/h4-5H,2-3,8H2,1H3/b6-4-,9-5+.
What are the key properties of (E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine?
(E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine has a molecular weight of 130.17 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(ethyliminomethyl)-3-fluoroprop-1-en-1-amine is sourced from PubChem (CID 178008288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).