carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene

C12H19FO12 — CID 173077026

IUPACcarbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene
SMILESC=CF.CCOC(=O)OCC.O=C(O)O.O=C(O)O/C=C/OC(=O)O
InChIInChI=1S/C5H10O3.C4H4O6.C2H3F.CH2O3/c1-3-7-5(6)8-4-2;5-3(6)9-1-2-10-4(7)8;1-2-3;2-1(3)4/h3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8);2H,1H2;(H2,2,3,4)/b;2-1+;;
InChIKeyVINXRZQDZNHPLW-WFNHHOHWSA-N
MW374.27 g/mol
LogP3.35
Rot. Bonds4

About carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene

carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene (PubChem CID 173077026) has the molecular formula C12H19FO12 and a molecular weight of 374.27 g/mol. Its IUPAC name is carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene.

Molecular Properties

Compound Namecarbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene
PubChem CID173077026
Molecular FormulaC12H19FO12
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC Namecarbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene
SMILESC=CF.CCOC(=O)OCC.O=C(O)O.O=C(O)O/C=C/OC(=O)O
InChIInChI=1S/C5H10O3.C4H4O6.C2H3F.CH2O3/c1-3-7-5(6)8-4-2;5-3(6)9-1-2-10-4(7)8;1-2-3;2-1(3)4/h3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8);2H,1H2;(H2,2,3,4)/b;2-1+;;
InChIKeyVINXRZQDZNHPLW-WFNHHOHWSA-N
XLogP3.35
TPSA186.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-carboxyoxyethenyl] hydrogen carbonate;1,1-difluoroethyl ethyl carbonate
CID 137422313
carbonic acid;diethyl carbonate;ethenyl acetate
CID 174977930
CID 175796855
CID 175796855
carbonic acid;diethyl carbonate;ethyl acetate
CID 174801545
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
ethyl 2-oxoethyl carbonate
CID 87169722
ethyl methyl carbonate;prop-2-enyl hydrogen carbonate
CID 174592666
carbonic acid;fluoroethene;1-fluoropropane
CID 174618380
carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene
CID 174573576
diethyl carbonate;ethane-1,2-diol
CID 19764063
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244

Frequently Asked Questions

What is the IUPAC name of carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene?
The IUPAC name of carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene (CID 173077026) is carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene.
What is the SMILES notation for carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene?
The canonical SMILES for carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene is C=CF.CCOC(=O)OCC.O=C(O)O.O=C(O)O/C=C/OC(=O)O.
What is the InChIKey of carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene?
The InChIKey is VINXRZQDZNHPLW-WFNHHOHWSA-N. The full InChI is InChI=1S/C5H10O3.C4H4O6.C2H3F.CH2O3/c1-3-7-5(6)8-4-2;5-3(6)9-1-2-10-4(7)8;1-2-3;2-1(3)4/h3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8);2H,1H2;(H2,2,3,4)/b;2-1+;;.
What are the key properties of carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene?
carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene has a molecular weight of 374.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene is sourced from PubChem (CID 173077026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).