(E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine

C12H13FN2 — CID 89355419

IUPAC(E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine
SMILESC=C(/N=C/C(F)=C\N)c1ccc(C)cc1
InChIInChI=1S/C12H13FN2/c1-9-3-5-11(6-4-9)10(2)15-8-12(13)7-14/h3-8H,2,14H2,1H3/b12-7+,15-8+
InChIKeyXIFWKCOEKSNSQM-KJZHCDIESA-N
MW204.25 g/mol
LogP2.81
Rot. Bonds3

About (E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine

(E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine (PubChem CID 89355419) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is (E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine
PubChem CID89355419
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name(E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine
SMILESC=C(/N=C/C(F)=C\N)c1ccc(C)cc1
InChIInChI=1S/C12H13FN2/c1-9-3-5-11(6-4-9)10(2)15-8-12(13)7-14/h3-8H,2,14H2,1H3/b12-7+,15-8+
InChIKeyXIFWKCOEKSNSQM-KJZHCDIESA-N
XLogP2.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.81
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-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine?
The IUPAC name of (E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine (CID 89355419) is (E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine.
What is the SMILES notation for (E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine?
The canonical SMILES for (E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine is C=C(/N=C/C(F)=C\N)c1ccc(C)cc1.
What is the InChIKey of (E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine?
The InChIKey is XIFWKCOEKSNSQM-KJZHCDIESA-N. The full InChI is InChI=1S/C12H13FN2/c1-9-3-5-11(6-4-9)10(2)15-8-12(13)7-14/h3-8H,2,14H2,1H3/b12-7+,15-8+.
What are the key properties of (E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine?
(E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine has a molecular weight of 204.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine is sourced from PubChem (CID 89355419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).