4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid

C8H7F4O5P — CID 174994220

IUPAC4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid
SMILESC=Cc1c(F)c(F)c(O)c(F)c1F.O=P(O)(O)O
InChIInChI=1S/C8H4F4O.H3O4P/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-5(2,3)4/h2,13H,1H2;(H3,1,2,3,4)
InChIKeyNLSPFMWMSOJZHJ-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.66
Rot. Bonds1

About 4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid

4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid (PubChem CID 174994220) has the molecular formula C8H7F4O5P and a molecular weight of 290.11 g/mol. Its IUPAC name is 4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid.

Molecular Properties

Compound Name4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid
PubChem CID174994220
Molecular FormulaC8H7F4O5P
Molecular Weight290.11 g/mol
Exact Mass290.00
IUPAC Name4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid
SMILESC=Cc1c(F)c(F)c(O)c(F)c1F.O=P(O)(O)O
InChIInChI=1S/C8H4F4O.H3O4P/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-5(2,3)4/h2,13H,1H2;(H3,1,2,3,4)
InChIKeyNLSPFMWMSOJZHJ-UHFFFAOYSA-N
XLogP1.66
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid?
The IUPAC name of 4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid (CID 174994220) is 4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid.
What is the SMILES notation for 4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid?
The canonical SMILES for 4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid is C=Cc1c(F)c(F)c(O)c(F)c1F.O=P(O)(O)O.
What is the InChIKey of 4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid?
The InChIKey is NLSPFMWMSOJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O.H3O4P/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;1-5(2,3)4/h2,13H,1H2;(H3,1,2,3,4).
What are the key properties of 4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid?
4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid has a molecular weight of 290.11 g/mol, XLogP of 1.66, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3,5,6-tetrafluorophenol;phosphoric acid is sourced from PubChem (CID 174994220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).