1-(4-fluorophenyl)-N-prop-2-enylethanimine

C11H12FN — CID 13128427

IUPAC1-(4-fluorophenyl)-N-prop-2-enylethanimine
SMILESC=CC/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C11H12FN/c1-3-8-13-9(2)10-4-6-11(12)7-5-10/h3-7H,1,8H2,2H3/b13-9+
InChIKeyZBICGSKLYYUGRU-UKTHLTGXSA-N
MW177.22 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-fluorophenyl)-N-prop-2-enylethanimine

1-(4-fluorophenyl)-N-prop-2-enylethanimine (PubChem CID 13128427) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-prop-2-enylethanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-prop-2-enylethanimine
PubChem CID13128427
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name1-(4-fluorophenyl)-N-prop-2-enylethanimine
SMILESC=CC/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C11H12FN/c1-3-8-13-9(2)10-4-6-11(12)7-5-10/h3-7H,1,8H2,2H3/b13-9+
InChIKeyZBICGSKLYYUGRU-UKTHLTGXSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-prop-2-enylethanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-prop-2-enylethanimine (CID 13128427) is 1-(4-fluorophenyl)-N-prop-2-enylethanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-prop-2-enylethanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-prop-2-enylethanimine is C=CC/N=C(\C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-prop-2-enylethanimine?
The InChIKey is ZBICGSKLYYUGRU-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H12FN/c1-3-8-13-9(2)10-4-6-11(12)7-5-10/h3-7H,1,8H2,2H3/b13-9+.
What are the key properties of 1-(4-fluorophenyl)-N-prop-2-enylethanimine?
1-(4-fluorophenyl)-N-prop-2-enylethanimine has a molecular weight of 177.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-prop-2-enylethanimine is sourced from PubChem (CID 13128427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).