2,4,5,6-tetrafluorobenzene-1,3-diol

C6H2F4O2 — CID 602725

IUPAC2,4,5,6-tetrafluorobenzene-1,3-diol
SMILESOc1c(F)c(O)c(F)c(F)c1F
InChIInChI=1S/C6H2F4O2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H
InChIKeyNLQBQVXMWOFCAU-UHFFFAOYSA-N
MW182.07 g/mol
LogP1.65
Rot. Bonds

About 2,4,5,6-tetrafluorobenzene-1,3-diol

2,4,5,6-tetrafluorobenzene-1,3-diol (PubChem CID 602725) has the molecular formula C6H2F4O2 and a molecular weight of 182.07 g/mol. Its IUPAC name is 2,4,5,6-tetrafluorobenzene-1,3-diol.

Molecular Properties

Compound Name2,4,5,6-tetrafluorobenzene-1,3-diol
PubChem CID602725
Molecular FormulaC6H2F4O2
Molecular Weight182.07 g/mol
Exact Mass182.00
IUPAC Name2,4,5,6-tetrafluorobenzene-1,3-diol
SMILESOc1c(F)c(O)c(F)c(F)c1F
InChIInChI=1S/C6H2F4O2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H
InChIKeyNLQBQVXMWOFCAU-UHFFFAOYSA-N
XLogP1.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2,4,5,6-tetrafluorobenzene-1,3-diol?
The IUPAC name of 2,4,5,6-tetrafluorobenzene-1,3-diol (CID 602725) is 2,4,5,6-tetrafluorobenzene-1,3-diol.
What is the SMILES notation for 2,4,5,6-tetrafluorobenzene-1,3-diol?
The canonical SMILES for 2,4,5,6-tetrafluorobenzene-1,3-diol is Oc1c(F)c(O)c(F)c(F)c1F.
What is the InChIKey of 2,4,5,6-tetrafluorobenzene-1,3-diol?
The InChIKey is NLQBQVXMWOFCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4O2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H.
What are the key properties of 2,4,5,6-tetrafluorobenzene-1,3-diol?
2,4,5,6-tetrafluorobenzene-1,3-diol has a molecular weight of 182.07 g/mol, XLogP of 1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrafluorobenzene-1,3-diol is sourced from PubChem (CID 602725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).