carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride

C6H9F3O6 — CID 174971053

IUPACcarbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride
SMILESC=C(F)F.F.O=C(O)O.O=C1OCCO1
InChIInChI=1S/C3H4O3.C2H2F2.CH2O3.FH/c4-3-5-1-2-6-3;1-2(3)4;2-1(3)4;/h1-2H2;1H2;(H2,2,3,4);1H
InChIKeyPHTYQJOSTNCYAM-UHFFFAOYSA-N
MW234.13 g/mol
LogP1.92
Rot. Bonds

About carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride

carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride (PubChem CID 174971053) has the molecular formula C6H9F3O6 and a molecular weight of 234.13 g/mol. Its IUPAC name is carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride.

Molecular Properties

Compound Namecarbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride
PubChem CID174971053
Molecular FormulaC6H9F3O6
Molecular Weight234.13 g/mol
Exact Mass234.04
IUPAC Namecarbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride
SMILESC=C(F)F.F.O=C(O)O.O=C1OCCO1
InChIInChI=1S/C3H4O3.C2H2F2.CH2O3.FH/c4-3-5-1-2-6-3;1-2(3)4;2-1(3)4;/h1-2H2;1H2;(H2,2,3,4);1H
InChIKeyPHTYQJOSTNCYAM-UHFFFAOYSA-N
XLogP1.92
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride?
The IUPAC name of carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride (CID 174971053) is carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride.
What is the SMILES notation for carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride?
The canonical SMILES for carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride is C=C(F)F.F.O=C(O)O.O=C1OCCO1.
What is the InChIKey of carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride?
The InChIKey is PHTYQJOSTNCYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.C2H2F2.CH2O3.FH/c4-3-5-1-2-6-3;1-2(3)4;2-1(3)4;/h1-2H2;1H2;(H2,2,3,4);1H.
What are the key properties of carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride?
carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride has a molecular weight of 234.13 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,1-difluoroethene;1,3-dioxolan-2-one;hydrofluoride is sourced from PubChem (CID 174971053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).