carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione

C8H11FO6 — CID 174899999

IUPACcarbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione
SMILESCC=CF.O=C(O)O.O=C1CCC(=O)O1
InChIInChI=1S/C4H4O3.C3H5F.CH2O3/c5-3-1-2-4(6)7-3;1-2-3-4;2-1(3)4/h1-2H2;2-3H,1H3;(H2,2,3,4)
InChIKeyOUNQOVNSUHFCNG-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.56
Rot. Bonds

About carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione

carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione (PubChem CID 174899999) has the molecular formula C8H11FO6 and a molecular weight of 222.17 g/mol. Its IUPAC name is carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione.

Molecular Properties

Compound Namecarbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione
PubChem CID174899999
Molecular FormulaC8H11FO6
Molecular Weight222.17 g/mol
Exact Mass222.05
IUPAC Namecarbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione
SMILESCC=CF.O=C(O)O.O=C1CCC(=O)O1
InChIInChI=1S/C4H4O3.C3H5F.CH2O3/c5-3-1-2-4(6)7-3;1-2-3-4;2-1(3)4/h1-2H2;2-3H,1H3;(H2,2,3,4)
InChIKeyOUNQOVNSUHFCNG-UHFFFAOYSA-N
XLogP1.56
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

but-2-enedioic acid;oxolane-2,5-dione
CID 160630986
carbonic acid;ethane-1,2-diol;oxolane-2,5-dione
CID 88692501
carbamic acid;oxolane-2,5-dione
CID 174883568
oxolane-2,5-dione;zinc
CID 159620051
ethene;oxolane-2,5-dione
CID 88750918
methanol;oxane-2,6-dione
CID 175106856
bis(2-methylprop-2-enoic acid);oxepane-2,7-dione
CID 87784863
(2,6-13C2)oxane-2,6-dione
CID 45039353
(2E)-2-(5-oxooxolan-2-ylidene)ethanethioic S-acid
CID 146597916
adamantane;oxolane-2,5-dione
CID 18424860
oxacyclododecane-2,12-dione
CID 14785770
oxane-2,6-dione;hydrofluoride
CID 158320792

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione?
The IUPAC name of carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione (CID 174899999) is carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione.
What is the SMILES notation for carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione?
The canonical SMILES for carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione is CC=CF.O=C(O)O.O=C1CCC(=O)O1.
What is the InChIKey of carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione?
The InChIKey is OUNQOVNSUHFCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3.C3H5F.CH2O3/c5-3-1-2-4(6)7-3;1-2-3-4;2-1(3)4/h1-2H2;2-3H,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione?
carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione has a molecular weight of 222.17 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione is sourced from PubChem (CID 174899999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).