N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine

C12H14FN — CID 168882925

IUPACN-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine
SMILESC=Cc1cc(C(C)C)c(F)cc1N=C
InChIInChI=1S/C12H14FN/c1-5-9-6-10(8(2)3)11(13)7-12(9)14-4/h5-8H,1,4H2,2-3H3
InChIKeyHTNVHRMSYMFCLL-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.92
Rot. Bonds3

About N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine

N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine (PubChem CID 168882925) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine
PubChem CID168882925
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC NameN-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine
SMILESC=Cc1cc(C(C)C)c(F)cc1N=C
InChIInChI=1S/C12H14FN/c1-5-9-6-10(8(2)3)11(13)7-12(9)14-4/h5-8H,1,4H2,2-3H3
InChIKeyHTNVHRMSYMFCLL-UHFFFAOYSA-N
XLogP3.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.92
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-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine?
The IUPAC name of N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine (CID 168882925) is N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine?
The canonical SMILES for N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine is C=Cc1cc(C(C)C)c(F)cc1N=C.
What is the InChIKey of N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine?
The InChIKey is HTNVHRMSYMFCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-5-9-6-10(8(2)3)11(13)7-12(9)14-4/h5-8H,1,4H2,2-3H3.
What are the key properties of N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine?
N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine has a molecular weight of 191.25 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-5-fluoro-4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 168882925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).