(2,2,2-trifluoroacetyl) furan-2-carboxylate

C7H3F3O4 — CID 91700684

IUPAC(2,2,2-trifluoroacetyl) furan-2-carboxylate
SMILESO=C(OC(=O)C(F)(F)F)c1ccco1
InChIInChI=1S/C7H3F3O4/c8-7(9,10)6(12)14-5(11)4-2-1-3-13-4/h1-3H
InChIKeyJMUXWJDTJVXMNI-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.53
Rot. Bonds1

About (2,2,2-trifluoroacetyl) furan-2-carboxylate

(2,2,2-trifluoroacetyl) furan-2-carboxylate (PubChem CID 91700684) has the molecular formula C7H3F3O4 and a molecular weight of 208.09 g/mol. Its IUPAC name is (2,2,2-trifluoroacetyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2,2,2-trifluoroacetyl) furan-2-carboxylate
PubChem CID91700684
Molecular FormulaC7H3F3O4
Molecular Weight208.09 g/mol
Exact Mass208.00
IUPAC Name(2,2,2-trifluoroacetyl) furan-2-carboxylate
SMILESO=C(OC(=O)C(F)(F)F)c1ccco1
InChIInChI=1S/C7H3F3O4/c8-7(9,10)6(12)14-5(11)4-2-1-3-13-4/h1-3H
InChIKeyJMUXWJDTJVXMNI-UHFFFAOYSA-N
XLogP1.53
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate
CID 91700723
(furan-2-carbonylamino) 2,2,2-trifluoroacetate
CID 141040971
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
bromomethyl furan-2-carboxylate
CID 54363056
[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate
CID 140844723
ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)
CID 11979475
CID 131873391
CID 131873391
chlorosyl furan-2-carboxylate
CID 154376053
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 95616020
4,4,4-trifluoro-1-(furan-2-yl)-3-iminobutan-1-one
CID 170314111
ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate
CID 14249560

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoroacetyl) furan-2-carboxylate?
The IUPAC name of (2,2,2-trifluoroacetyl) furan-2-carboxylate (CID 91700684) is (2,2,2-trifluoroacetyl) furan-2-carboxylate.
What is the SMILES notation for (2,2,2-trifluoroacetyl) furan-2-carboxylate?
The canonical SMILES for (2,2,2-trifluoroacetyl) furan-2-carboxylate is O=C(OC(=O)C(F)(F)F)c1ccco1.
What is the InChIKey of (2,2,2-trifluoroacetyl) furan-2-carboxylate?
The InChIKey is JMUXWJDTJVXMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3O4/c8-7(9,10)6(12)14-5(11)4-2-1-3-13-4/h1-3H.
What are the key properties of (2,2,2-trifluoroacetyl) furan-2-carboxylate?
(2,2,2-trifluoroacetyl) furan-2-carboxylate has a molecular weight of 208.09 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoroacetyl) furan-2-carboxylate is sourced from PubChem (CID 91700684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).