carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one

C9H15FO9 — CID 69479472

IUPACcarbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one
SMILESC=C.COC(=O)OC.O=C(O)O.O=C1OCC(F)O1
InChIInChI=1S/C3H3FO3.C3H6O3.C2H4.CH2O3/c4-2-1-6-3(5)7-2;1-5-3(4)6-2;1-2;2-1(3)4/h2H,1H2;1-2H3;1-2H2;(H2,2,3,4)
InChIKeyCCHUVEAXTGWANO-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.87
Rot. Bonds

About carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one

carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one (PubChem CID 69479472) has the molecular formula C9H15FO9 and a molecular weight of 286.21 g/mol. Its IUPAC name is carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Namecarbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one
PubChem CID69479472
Molecular FormulaC9H15FO9
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Namecarbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one
SMILESC=C.COC(=O)OC.O=C(O)O.O=C1OCC(F)O1
InChIInChI=1S/C3H3FO3.C3H6O3.C2H4.CH2O3/c4-2-1-6-3(5)7-2;1-5-3(4)6-2;1-2;2-1(3)4/h2H,1H2;1-2H3;1-2H2;(H2,2,3,4)
InChIKeyCCHUVEAXTGWANO-UHFFFAOYSA-N
XLogP1.87
TPSA128.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 172774171
CID 172774171
ethyl methyl carbonate;4-fluoro-1,3-dioxolan-2-one;fluoroethene
CID 162241357
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
CID 157198471
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one
CID 175563848
ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 135304393
dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 174559201
methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate
CID 54352126
4,4-dibromo-1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
CID 67442671
4-methyl-1,3-dioxolan-2-one;oxalic acid
CID 159173945
2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
CID 22101666
4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid
CID 68522550

Frequently Asked Questions

What is the IUPAC name of carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one?
The IUPAC name of carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one (CID 69479472) is carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one.
What is the SMILES notation for carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one?
The canonical SMILES for carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one is C=C.COC(=O)OC.O=C(O)O.O=C1OCC(F)O1.
What is the InChIKey of carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one?
The InChIKey is CCHUVEAXTGWANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO3.C3H6O3.C2H4.CH2O3/c4-2-1-6-3(5)7-2;1-5-3(4)6-2;1-2;2-1(3)4/h2H,1H2;1-2H3;1-2H2;(H2,2,3,4).
What are the key properties of carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one?
carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one has a molecular weight of 286.21 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 69479472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).