ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine

C12H16FN — CID 157040724

IUPACethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine
SMILESC=Nc1cc(F)ccc1C(=C)C.CC
InChIInChI=1S/C10H10FN.C2H6/c1-7(2)9-5-4-8(11)6-10(9)12-3;1-2/h4-6H,1,3H2,2H3;1-2H3
InChIKeyGISHMCISNQFFPF-UHFFFAOYSA-N
MW193.26 g/mol
LogP4.22
Rot. Bonds2

About ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine

ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine (PubChem CID 157040724) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine.

Molecular Properties

Compound Nameethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine
PubChem CID157040724
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Nameethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine
SMILESC=Nc1cc(F)ccc1C(=C)C.CC
InChIInChI=1S/C10H10FN.C2H6/c1-7(2)9-5-4-8(11)6-10(9)12-3;1-2/h4-6H,1,3H2,2H3;1-2H3
InChIKeyGISHMCISNQFFPF-UHFFFAOYSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 54.22
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 ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine?
The IUPAC name of ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine (CID 157040724) is ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine.
What is the SMILES notation for ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine?
The canonical SMILES for ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine is C=Nc1cc(F)ccc1C(=C)C.CC.
What is the InChIKey of ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine?
The InChIKey is GISHMCISNQFFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN.C2H6/c1-7(2)9-5-4-8(11)6-10(9)12-3;1-2/h4-6H,1,3H2,2H3;1-2H3.
What are the key properties of ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine?
ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine has a molecular weight of 193.26 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-fluoro-2-prop-1-en-2-ylphenyl)methanimine is sourced from PubChem (CID 157040724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).