[5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine

C14H14FNO — CID 123204833

IUPAC[5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine
SMILESC=c1cc(CN)oc1=C(C)c1cccc(F)c1
InChIInChI=1S/C14H14FNO/c1-9-6-13(8-16)17-14(9)10(2)11-4-3-5-12(15)7-11/h3-7H,1,8,16H2,2H3
InChIKeyFOASSFWNXXLQLN-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.51
Rot. Bonds2

About [5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine

[5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine (PubChem CID 123204833) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is [5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine
PubChem CID123204833
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name[5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine
SMILESC=c1cc(CN)oc1=C(C)c1cccc(F)c1
InChIInChI=1S/C14H14FNO/c1-9-6-13(8-16)17-14(9)10(2)11-4-3-5-12(15)7-11/h3-7H,1,8,16H2,2H3
InChIKeyFOASSFWNXXLQLN-UHFFFAOYSA-N
XLogP1.51
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine?
The IUPAC name of [5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine (CID 123204833) is [5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine.
What is the SMILES notation for [5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine?
The canonical SMILES for [5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine is C=c1cc(CN)oc1=C(C)c1cccc(F)c1.
What is the InChIKey of [5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine?
The InChIKey is FOASSFWNXXLQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-6-13(8-16)17-14(9)10(2)11-4-3-5-12(15)7-11/h3-7H,1,8,16H2,2H3.
What are the key properties of [5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine?
[5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine has a molecular weight of 231.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3-fluorophenyl)ethylidene]-4-methylidenefuran-2-yl]methanamine is sourced from PubChem (CID 123204833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).