[(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium

C12H12FN2O+ — CID 8007604

IUPAC[(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium
SMILESC/[NH+]=C(/Nc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C12H11FN2O/c1-14-12(11-3-2-8-16-11)15-10-6-4-9(13)5-7-10/h2-8H,1H3,(H,14,15)/p+1
InChIKeyHLNRQYALJRMNOF-UHFFFAOYSA-O
MW219.24 g/mol
LogP0.99
Rot. Bonds2

About [(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium

[(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium (PubChem CID 8007604) has the molecular formula C12H12FN2O+ and a molecular weight of 219.24 g/mol. Its IUPAC name is [(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium.

Molecular Properties

Compound Name[(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium
PubChem CID8007604
Molecular FormulaC12H12FN2O+
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name[(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium
SMILESC/[NH+]=C(/Nc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C12H11FN2O/c1-14-12(11-3-2-8-16-11)15-10-6-4-9(13)5-7-10/h2-8H,1H3,(H,14,15)/p+1
InChIKeyHLNRQYALJRMNOF-UHFFFAOYSA-O
XLogP0.99
TPSA39.14 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium
CID 8007611
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 9476583
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7486717
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 17491245
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[2-(4-fluoroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917793
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257
N-[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 25476914
N-[4-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014548
N-[(1S)-2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 92735706

Frequently Asked Questions

What is the IUPAC name of [(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium?
The IUPAC name of [(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium (CID 8007604) is [(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium.
What is the SMILES notation for [(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium?
The canonical SMILES for [(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium is C/[NH+]=C(/Nc1ccc(F)cc1)c1ccco1.
What is the InChIKey of [(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium?
The InChIKey is HLNRQYALJRMNOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11FN2O/c1-14-12(11-3-2-8-16-11)15-10-6-4-9(13)5-7-10/h2-8H,1H3,(H,14,15)/p+1.
What are the key properties of [(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium?
[(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium has a molecular weight of 219.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium is sourced from PubChem (CID 8007604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).