2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate

C8H3F5O4 — CID 91700723

IUPAC2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate
SMILESO=C(OC(=O)C(F)(F)C(F)(F)F)c1ccco1
InChIInChI=1S/C8H3F5O4/c9-7(10,8(11,12)13)6(15)17-5(14)4-2-1-3-16-4/h1-3H
InChIKeyXFRRXHGDZSGCFF-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.16
Rot. Bonds2

About 2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate

2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate (PubChem CID 91700723) has the molecular formula C8H3F5O4 and a molecular weight of 258.10 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate
PubChem CID91700723
Molecular FormulaC8H3F5O4
Molecular Weight258.10 g/mol
Exact Mass258.00
IUPAC Name2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate
SMILESO=C(OC(=O)C(F)(F)C(F)(F)F)c1ccco1
InChIInChI=1S/C8H3F5O4/c9-7(10,8(11,12)13)6(15)17-5(14)4-2-1-3-16-4/h1-3H
InChIKeyXFRRXHGDZSGCFF-UHFFFAOYSA-N
XLogP2.16
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,2,2-trifluoroacetyl) furan-2-carboxylate
CID 91700684
4,4,5,5,5-pentafluoro-1-(furan-2-yl)-1-hydroxypent-1-en-3-one
CID 74687556
[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 95616020
methane;propan-2-yl furan-2-carboxylate
CID 157166715
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
bromomethyl furan-2-carboxylate
CID 54363056
(furan-2-carbonylamino) 2,2,2-trifluoroacetate
CID 141040971
[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate
CID 140844723
N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide
CID 6386891
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-hydroxypropanoate
CID 3751835
chlorosyl furan-2-carboxylate
CID 154376053
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate?
The IUPAC name of 2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate (CID 91700723) is 2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate is O=C(OC(=O)C(F)(F)C(F)(F)F)c1ccco1.
What is the InChIKey of 2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate?
The InChIKey is XFRRXHGDZSGCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5O4/c9-7(10,8(11,12)13)6(15)17-5(14)4-2-1-3-16-4/h1-3H.
What are the key properties of 2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate?
2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate has a molecular weight of 258.10 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate is sourced from PubChem (CID 91700723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).