3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol

C12H8F2O2 — CID 53219337

IUPAC3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol
SMILESOc1cc(F)cc(-c2ccc(O)cc2F)c1
InChIInChI=1S/C12H8F2O2/c13-8-3-7(4-10(16)5-8)11-2-1-9(15)6-12(11)14/h1-6,15-16H
InChIKeyXHYKVQSMDYQJSY-UHFFFAOYSA-N
MW222.19 g/mol
LogP3.04
Rot. Bonds1

About 3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol

3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol (PubChem CID 53219337) has the molecular formula C12H8F2O2 and a molecular weight of 222.19 g/mol. Its IUPAC name is 3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol
PubChem CID53219337
Molecular FormulaC12H8F2O2
Molecular Weight222.19 g/mol
Exact Mass222.05
IUPAC Name3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol
SMILESOc1cc(F)cc(-c2ccc(O)cc2F)c1
InChIInChI=1S/C12H8F2O2/c13-8-3-7(4-10(16)5-8)11-2-1-9(15)6-12(11)14/h1-6,15-16H
InChIKeyXHYKVQSMDYQJSY-UHFFFAOYSA-N
XLogP3.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol?
The IUPAC name of 3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol (CID 53219337) is 3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol.
What is the SMILES notation for 3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol?
The canonical SMILES for 3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol is Oc1cc(F)cc(-c2ccc(O)cc2F)c1.
What is the InChIKey of 3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol?
The InChIKey is XHYKVQSMDYQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2/c13-8-3-7(4-10(16)5-8)11-2-1-9(15)6-12(11)14/h1-6,15-16H.
What are the key properties of 3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol?
3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol has a molecular weight of 222.19 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol is sourced from PubChem (CID 53219337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).