formic acid;2,3,4,5,6-pentafluorophenol

C7H3F5O3 — CID 71335543

IUPACformic acid;2,3,4,5,6-pentafluorophenol
SMILESO=CO.Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O.CH2O2/c7-1-2(8)4(10)6(12)5(11)3(1)9;2-1-3/h12H;1H,(H,2,3)
InChIKeyGSMNILQZPDRJHY-UHFFFAOYSA-N
MW230.09 g/mol
LogP1.79
Rot. Bonds

About formic acid;2,3,4,5,6-pentafluorophenol

formic acid;2,3,4,5,6-pentafluorophenol (PubChem CID 71335543) has the molecular formula C7H3F5O3 and a molecular weight of 230.09 g/mol. Its IUPAC name is formic acid;2,3,4,5,6-pentafluorophenol.

Molecular Properties

Compound Nameformic acid;2,3,4,5,6-pentafluorophenol
PubChem CID71335543
Molecular FormulaC7H3F5O3
Molecular Weight230.09 g/mol
Exact Mass230.00
IUPAC Nameformic acid;2,3,4,5,6-pentafluorophenol
SMILESO=CO.Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O.CH2O2/c7-1-2(8)4(10)6(12)5(11)3(1)9;2-1-3/h12H;1H,(H,2,3)
InChIKeyGSMNILQZPDRJHY-UHFFFAOYSA-N
XLogP1.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;2,3,4,5,6-pentafluorophenol?
The IUPAC name of formic acid;2,3,4,5,6-pentafluorophenol (CID 71335543) is formic acid;2,3,4,5,6-pentafluorophenol.
What is the SMILES notation for formic acid;2,3,4,5,6-pentafluorophenol?
The canonical SMILES for formic acid;2,3,4,5,6-pentafluorophenol is O=CO.Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of formic acid;2,3,4,5,6-pentafluorophenol?
The InChIKey is GSMNILQZPDRJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5O.CH2O2/c7-1-2(8)4(10)6(12)5(11)3(1)9;2-1-3/h12H;1H,(H,2,3).
What are the key properties of formic acid;2,3,4,5,6-pentafluorophenol?
formic acid;2,3,4,5,6-pentafluorophenol has a molecular weight of 230.09 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2,3,4,5,6-pentafluorophenol is sourced from PubChem (CID 71335543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).