hexakis(carbonofluoridic acid);prop-2-enoic acid

C9H10F6O14 — CID 175140796

IUPAChexakis(carbonofluoridic acid);prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/C3H4O2.6CHFO2/c1-2-3(4)5;6*2-1(3)4/h2H,1H2,(H,4,5);6*(H,3,4)
InChIKeyGKAGFGBGKAVGOZ-UHFFFAOYSA-N
MW456.15 g/mol
LogP4.06
Rot. Bonds1

About hexakis(carbonofluoridic acid);prop-2-enoic acid

hexakis(carbonofluoridic acid);prop-2-enoic acid (PubChem CID 175140796) has the molecular formula C9H10F6O14 and a molecular weight of 456.15 g/mol. Its IUPAC name is hexakis(carbonofluoridic acid);prop-2-enoic acid.

Molecular Properties

Compound Namehexakis(carbonofluoridic acid);prop-2-enoic acid
PubChem CID175140796
Molecular FormulaC9H10F6O14
Molecular Weight456.15 g/mol
Exact Mass456.00
IUPAC Namehexakis(carbonofluoridic acid);prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F
InChIInChI=1S/C3H4O2.6CHFO2/c1-2-3(4)5;6*2-1(3)4/h2H,1H2,(H,4,5);6*(H,3,4)
InChIKeyGKAGFGBGKAVGOZ-UHFFFAOYSA-N
XLogP4.06
TPSA261.10 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.15
LogP ≤ 54.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462
iron(2+);prop-2-enoic acid
CID 10290804
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
methanol;prop-2-enoic acid
CID 159043362
calcium;prop-2-enoic acid;dichloride
CID 172857747

Frequently Asked Questions

What is the IUPAC name of hexakis(carbonofluoridic acid);prop-2-enoic acid?
The IUPAC name of hexakis(carbonofluoridic acid);prop-2-enoic acid (CID 175140796) is hexakis(carbonofluoridic acid);prop-2-enoic acid.
What is the SMILES notation for hexakis(carbonofluoridic acid);prop-2-enoic acid?
The canonical SMILES for hexakis(carbonofluoridic acid);prop-2-enoic acid is C=CC(=O)O.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F.
What is the InChIKey of hexakis(carbonofluoridic acid);prop-2-enoic acid?
The InChIKey is GKAGFGBGKAVGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.6CHFO2/c1-2-3(4)5;6*2-1(3)4/h2H,1H2,(H,4,5);6*(H,3,4).
What are the key properties of hexakis(carbonofluoridic acid);prop-2-enoic acid?
hexakis(carbonofluoridic acid);prop-2-enoic acid has a molecular weight of 456.15 g/mol, XLogP of 4.06, 1 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(carbonofluoridic acid);prop-2-enoic acid is sourced from PubChem (CID 175140796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).