N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine

C10H10FN — CID 153370465

IUPACN-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine
SMILESC=Nc1ccc(F)cc1C(=C)C
InChIInChI=1S/C10H10FN/c1-7(2)9-6-8(11)4-5-10(9)12-3/h4-6H,1,3H2,2H3
InChIKeyIORDMZBYPABQGL-UHFFFAOYSA-N
MW163.19 g/mol
LogP3.19
Rot. Bonds2

About N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine

N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine (PubChem CID 153370465) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine
PubChem CID153370465
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC NameN-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine
SMILESC=Nc1ccc(F)cc1C(=C)C
InChIInChI=1S/C10H10FN/c1-7(2)9-6-8(11)4-5-10(9)12-3/h4-6H,1,3H2,2H3
InChIKeyIORDMZBYPABQGL-UHFFFAOYSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine?
The IUPAC name of N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine (CID 153370465) is N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine.
What is the SMILES notation for N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine?
The canonical SMILES for N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine is C=Nc1ccc(F)cc1C(=C)C.
What is the InChIKey of N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine?
The InChIKey is IORDMZBYPABQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-7(2)9-6-8(11)4-5-10(9)12-3/h4-6H,1,3H2,2H3.
What are the key properties of N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine?
N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine has a molecular weight of 163.19 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-prop-1-en-2-ylphenyl)methanimine is sourced from PubChem (CID 153370465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).