furan-2-carboximidamide;2,2,2-trifluoroacetic acid

C7H7F3N2O3 — CID 157143973

IUPACfuran-2-carboximidamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]/N=C(\N)c1ccco1
InChIInChI=1S/C5H6N2O.C2HF3O2/c6-5(7)4-2-1-3-8-4;3-2(4,5)1(6)7/h1-3H,(H3,6,7);(H,6,7)
InChIKeyAKMQTOYEZRXRQZ-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.20
Rot. Bonds1

About furan-2-carboximidamide;2,2,2-trifluoroacetic acid

furan-2-carboximidamide;2,2,2-trifluoroacetic acid (PubChem CID 157143973) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is furan-2-carboximidamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namefuran-2-carboximidamide;2,2,2-trifluoroacetic acid
PubChem CID157143973
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Namefuran-2-carboximidamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]/N=C(\N)c1ccco1
InChIInChI=1S/C5H6N2O.C2HF3O2/c6-5(7)4-2-1-3-8-4;3-2(4,5)1(6)7/h1-3H,(H3,6,7);(H,6,7)
InChIKeyAKMQTOYEZRXRQZ-UHFFFAOYSA-N
XLogP1.20
TPSA100.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine
CID 162584999
2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 159370745
4,4,4-trifluoro-1-(furan-2-yl)-3-iminobutan-1-one
CID 170314111
2-(furan-2-yl)-2-iminoacetic acid
CID 141219188
furan-2-carboxamide;molecular hydrogen
CID 145259960
pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 161312588
(4-carbamimidoylphenyl) benzoate;2,2,2-trifluoroacetic acid
CID 167762216
(furan-2-carbonylamino) 2,2,2-trifluoroacetate
CID 141040971
2-fluoro-2-(furan-2-yl)propanedioic acid
CID 139618699
furan-2-carboxylic acid;methanamine
CID 82372767
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
(2,2,2-trifluoroacetyl) furan-2-carboxylate
CID 91700684

Frequently Asked Questions

What is the IUPAC name of furan-2-carboximidamide;2,2,2-trifluoroacetic acid?
The IUPAC name of furan-2-carboximidamide;2,2,2-trifluoroacetic acid (CID 157143973) is furan-2-carboximidamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for furan-2-carboximidamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for furan-2-carboximidamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[H]/N=C(\N)c1ccco1.
What is the InChIKey of furan-2-carboximidamide;2,2,2-trifluoroacetic acid?
The InChIKey is AKMQTOYEZRXRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C2HF3O2/c6-5(7)4-2-1-3-8-4;3-2(4,5)1(6)7/h1-3H,(H3,6,7);(H,6,7).
What are the key properties of furan-2-carboximidamide;2,2,2-trifluoroacetic acid?
furan-2-carboximidamide;2,2,2-trifluoroacetic acid has a molecular weight of 224.14 g/mol, XLogP of 1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carboximidamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157143973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).