(2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid

C7H8F2O5 — CID 175408800

IUPAC(2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(CF)OC(=O)CF
InChIInChI=1S/C4H4F2O3.C3H4O2/c5-1-3(7)9-4(8)2-6;1-2-3(4)5/h1-2H2;2H,1H2,(H,4,5)
InChIKeyYLBURIREHINBND-UHFFFAOYSA-N
MW210.13 g/mol
LogP0.25
Rot. Bonds3

About (2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid

(2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid (PubChem CID 175408800) has the molecular formula C7H8F2O5 and a molecular weight of 210.13 g/mol. Its IUPAC name is (2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid.

Molecular Properties

Compound Name(2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid
PubChem CID175408800
Molecular FormulaC7H8F2O5
Molecular Weight210.13 g/mol
Exact Mass210.03
IUPAC Name(2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(CF)OC(=O)CF
InChIInChI=1S/C4H4F2O3.C3H4O2/c5-1-3(7)9-4(8)2-6;1-2-3(4)5/h1-2H2;2H,1H2,(H,4,5)
InChIKeyYLBURIREHINBND-UHFFFAOYSA-N
XLogP0.25
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate
CID 162057349
calcium;prop-2-enoic acid;dichloride
CID 172857747
hexakis(carbonofluoridic acid);prop-2-enoic acid
CID 175140796
disilver;bis(prop-2-enoic acid);bromide;chloride
CID 173437465
Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
iron(2+);prop-2-enoic acid
CID 10290804
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462

Frequently Asked Questions

What is the IUPAC name of (2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid?
The IUPAC name of (2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid (CID 175408800) is (2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid.
What is the SMILES notation for (2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid?
The canonical SMILES for (2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid is C=CC(=O)O.O=C(CF)OC(=O)CF.
What is the InChIKey of (2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid?
The InChIKey is YLBURIREHINBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O3.C3H4O2/c5-1-3(7)9-4(8)2-6;1-2-3(4)5/h1-2H2;2H,1H2,(H,4,5).
What are the key properties of (2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid?
(2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid has a molecular weight of 210.13 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoroacetyl) 2-fluoroacetate;prop-2-enoic acid is sourced from PubChem (CID 175408800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).