2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol

C26H18F4O4 — CID 67848839

IUPAC2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol
SMILESOc1cccc(CC(c2cccc(O)c2F)(c2cccc(O)c2F)c2cccc(O)c2F)c1F
InChIInChI=1S/C26H18F4O4/c27-22-14(5-1-9-18(22)31)13-26(15-6-2-10-19(32)23(15)28,16-7-3-11-20(33)24(16)29)17-8-4-12-21(34)25(17)30/h1-12,31-34H,13H2
InChIKeyVKRPBFGPQXSFMU-UHFFFAOYSA-N
MW470.42 g/mol
LogP5.64
Rot. Bonds5

About 2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol

2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol (PubChem CID 67848839) has the molecular formula C26H18F4O4 and a molecular weight of 470.42 g/mol. Its IUPAC name is 2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol
PubChem CID67848839
Molecular FormulaC26H18F4O4
Molecular Weight470.42 g/mol
Exact Mass470.11
IUPAC Name2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol
SMILESOc1cccc(CC(c2cccc(O)c2F)(c2cccc(O)c2F)c2cccc(O)c2F)c1F
InChIInChI=1S/C26H18F4O4/c27-22-14(5-1-9-18(22)31)13-26(15-6-2-10-19(32)23(15)28,16-7-3-11-20(33)24(16)29)17-8-4-12-21(34)25(17)30/h1-12,31-34H,13H2
InChIKeyVKRPBFGPQXSFMU-UHFFFAOYSA-N
XLogP5.64
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.42
LogP ≤ 55.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 66058296
1-(2,2-dimethylbutyl)-2,3-difluorobenzene
CID 135277265
1-[3-bromo-2-(bromomethyl)-2-(2-fluorophenyl)propyl]-2,3-difluorobenzene
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2,3-difluoro-4-propylphenol
CID 14495704
2,3-difluoro-4-(hydroxymethyl)phenol
CID 67042893
2-ethyl-6-(2-methylpentan-2-yl)phenol
CID 154203714

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol (CID 67848839) is 2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol is Oc1cccc(CC(c2cccc(O)c2F)(c2cccc(O)c2F)c2cccc(O)c2F)c1F.
What is the InChIKey of 2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol?
The InChIKey is VKRPBFGPQXSFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4O4/c27-22-14(5-1-9-18(22)31)13-26(15-6-2-10-19(32)23(15)28,16-7-3-11-20(33)24(16)29)17-8-4-12-21(34)25(17)30/h1-12,31-34H,13H2.
What are the key properties of 2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol?
2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol has a molecular weight of 470.42 g/mol, XLogP of 5.64, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[2,2,2-tris(2-fluoro-3-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 67848839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).