[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol

C8H6F4O2 — CID 4098835

IUPAC[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol
SMILESOCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C8H6F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h13-14H,1-2H2
InChIKeySDHKGYDQOGCLQM-UHFFFAOYSA-N
MW210.13 g/mol
LogP1.23
Rot. Bonds2

About [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol

[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol (PubChem CID 4098835) has the molecular formula C8H6F4O2 and a molecular weight of 210.13 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol
PubChem CID4098835
Molecular FormulaC8H6F4O2
Molecular Weight210.13 g/mol
Exact Mass210.03
IUPAC Name[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol
SMILESOCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C8H6F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h13-14H,1-2H2
InChIKeySDHKGYDQOGCLQM-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol (CID 4098835) is [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol is OCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol?
The InChIKey is SDHKGYDQOGCLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h13-14H,1-2H2.
What are the key properties of [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol?
[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol has a molecular weight of 210.13 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 4098835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).