4-ethyl-2,3,5,6-tetrafluorophenol

C8H6F4O — CID 88572111

IUPAC4-ethyl-2,3,5,6-tetrafluorophenol
SMILESCCc1c(F)c(F)c(O)c(F)c1F
InChIInChI=1S/C8H6F4O/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h13H,2H2,1H3
InChIKeySWIONRVTKBXKST-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.51
Rot. Bonds1

About 4-ethyl-2,3,5,6-tetrafluorophenol

4-ethyl-2,3,5,6-tetrafluorophenol (PubChem CID 88572111) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is 4-ethyl-2,3,5,6-tetrafluorophenol.

Molecular Properties

Compound Name4-ethyl-2,3,5,6-tetrafluorophenol
PubChem CID88572111
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name4-ethyl-2,3,5,6-tetrafluorophenol
SMILESCCc1c(F)c(F)c(O)c(F)c1F
InChIInChI=1S/C8H6F4O/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h13H,2H2,1H3
InChIKeySWIONRVTKBXKST-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,5,6-tetrafluorophenol?
The IUPAC name of 4-ethyl-2,3,5,6-tetrafluorophenol (CID 88572111) is 4-ethyl-2,3,5,6-tetrafluorophenol.
What is the SMILES notation for 4-ethyl-2,3,5,6-tetrafluorophenol?
The canonical SMILES for 4-ethyl-2,3,5,6-tetrafluorophenol is CCc1c(F)c(F)c(O)c(F)c1F.
What is the InChIKey of 4-ethyl-2,3,5,6-tetrafluorophenol?
The InChIKey is SWIONRVTKBXKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h13H,2H2,1H3.
What are the key properties of 4-ethyl-2,3,5,6-tetrafluorophenol?
4-ethyl-2,3,5,6-tetrafluorophenol has a molecular weight of 194.13 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,5,6-tetrafluorophenol is sourced from PubChem (CID 88572111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).