(Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine

C12H13FN2 — CID 89170057

IUPAC(Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine
SMILESC=C(/N=C/C=C(/C)N)c1ccccc1F
InChIInChI=1S/C12H13FN2/c1-9(14)7-8-15-10(2)11-5-3-4-6-12(11)13/h3-8H,2,14H2,1H3/b9-7-,15-8+
InChIKeyGPWAUMAEHJJMFP-CXVZIJRBSA-N
MW204.25 g/mol
LogP2.73
Rot. Bonds3

About (Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine

(Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine (PubChem CID 89170057) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is (Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine
PubChem CID89170057
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name(Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine
SMILESC=C(/N=C/C=C(/C)N)c1ccccc1F
InChIInChI=1S/C12H13FN2/c1-9(14)7-8-15-10(2)11-5-3-4-6-12(11)13/h3-8H,2,14H2,1H3/b9-7-,15-8+
InChIKeyGPWAUMAEHJJMFP-CXVZIJRBSA-N
XLogP2.73
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 ≤ 52.73
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 (Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine?
The IUPAC name of (Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine (CID 89170057) is (Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine.
What is the SMILES notation for (Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine?
The canonical SMILES for (Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine is C=C(/N=C/C=C(/C)N)c1ccccc1F.
What is the InChIKey of (Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine?
The InChIKey is GPWAUMAEHJJMFP-CXVZIJRBSA-N. The full InChI is InChI=1S/C12H13FN2/c1-9(14)7-8-15-10(2)11-5-3-4-6-12(11)13/h3-8H,2,14H2,1H3/b9-7-,15-8+.
What are the key properties of (Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine?
(Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine has a molecular weight of 204.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine is sourced from PubChem (CID 89170057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).