(furan-2-carbonylamino) 2,2,2-trifluoroacetate

C7H4F3NO4 — CID 141040971

IUPAC(furan-2-carbonylamino) 2,2,2-trifluoroacetate
SMILESO=C(NOC(=O)C(F)(F)F)c1ccco1
InChIInChI=1S/C7H4F3NO4/c8-7(9,10)6(13)15-11-5(12)4-2-1-3-14-4/h1-3H,(H,11,12)
InChIKeyKLAPRBLOGFJBGH-UHFFFAOYSA-N
MW223.11 g/mol
LogP1.03
Rot. Bonds1

About (furan-2-carbonylamino) 2,2,2-trifluoroacetate

(furan-2-carbonylamino) 2,2,2-trifluoroacetate (PubChem CID 141040971) has the molecular formula C7H4F3NO4 and a molecular weight of 223.11 g/mol. Its IUPAC name is (furan-2-carbonylamino) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(furan-2-carbonylamino) 2,2,2-trifluoroacetate
PubChem CID141040971
Molecular FormulaC7H4F3NO4
Molecular Weight223.11 g/mol
Exact Mass223.01
IUPAC Name(furan-2-carbonylamino) 2,2,2-trifluoroacetate
SMILESO=C(NOC(=O)C(F)(F)F)c1ccco1
InChIInChI=1S/C7H4F3NO4/c8-7(9,10)6(13)15-11-5(12)4-2-1-3-14-4/h1-3H,(H,11,12)
InChIKeyKLAPRBLOGFJBGH-UHFFFAOYSA-N
XLogP1.03
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,2,2-trifluoroacetyl) furan-2-carboxylate
CID 91700684
N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
CID 21204899
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-hydroxypropanoate
CID 3751835
N-cyclopentyloxyfuran-2-carboxamide
CID 83201943
furan-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 157143973
N-chlorofuran-2-carboxamide
CID 18537247
N-(3,3-difluorobutan-2-yl)furan-2-carboxamide
CID 126790408
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
(furan-2-carbonylamino) 5-methyl-2-phenyltriazole-4-carboxylate
CID 2797815
4,4,4-trifluoro-1-(furan-2-yl)-3-iminobutan-1-one
CID 170314111
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485

Frequently Asked Questions

What is the IUPAC name of (furan-2-carbonylamino) 2,2,2-trifluoroacetate?
The IUPAC name of (furan-2-carbonylamino) 2,2,2-trifluoroacetate (CID 141040971) is (furan-2-carbonylamino) 2,2,2-trifluoroacetate.
What is the SMILES notation for (furan-2-carbonylamino) 2,2,2-trifluoroacetate?
The canonical SMILES for (furan-2-carbonylamino) 2,2,2-trifluoroacetate is O=C(NOC(=O)C(F)(F)F)c1ccco1.
What is the InChIKey of (furan-2-carbonylamino) 2,2,2-trifluoroacetate?
The InChIKey is KLAPRBLOGFJBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO4/c8-7(9,10)6(13)15-11-5(12)4-2-1-3-14-4/h1-3H,(H,11,12).
What are the key properties of (furan-2-carbonylamino) 2,2,2-trifluoroacetate?
(furan-2-carbonylamino) 2,2,2-trifluoroacetate has a molecular weight of 223.11 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (furan-2-carbonylamino) 2,2,2-trifluoroacetate is sourced from PubChem (CID 141040971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).