[5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine

C16H15F2NO — CID 123962515

IUPAC[5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine
SMILESC=CC(c1ccc(F)cc1F)=c1oc(CN)cc1=CC
InChIInChI=1S/C16H15F2NO/c1-3-10-7-12(9-19)20-16(10)13(4-2)14-6-5-11(17)8-15(14)18/h3-8H,2,9,19H2,1H3
InChIKeyMUDGBFYLRWYAEE-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.20
Rot. Bonds3

About [5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine

[5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine (PubChem CID 123962515) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is [5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine
PubChem CID123962515
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name[5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine
SMILESC=CC(c1ccc(F)cc1F)=c1oc(CN)cc1=CC
InChIInChI=1S/C16H15F2NO/c1-3-10-7-12(9-19)20-16(10)13(4-2)14-6-5-11(17)8-15(14)18/h3-8H,2,9,19H2,1H3
InChIKeyMUDGBFYLRWYAEE-UHFFFAOYSA-N
XLogP2.20
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine?
The IUPAC name of [5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine (CID 123962515) is [5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine.
What is the SMILES notation for [5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine?
The canonical SMILES for [5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine is C=CC(c1ccc(F)cc1F)=c1oc(CN)cc1=CC.
What is the InChIKey of [5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine?
The InChIKey is MUDGBFYLRWYAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-3-10-7-12(9-19)20-16(10)13(4-2)14-6-5-11(17)8-15(14)18/h3-8H,2,9,19H2,1H3.
What are the key properties of [5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine?
[5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine has a molecular weight of 275.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(2,4-difluorophenyl)prop-2-enylidene]-4-ethylidenefuran-2-yl]methanamine is sourced from PubChem (CID 123962515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).