3-fluoro-4-(3-fluorophenyl)phenol

C12H8F2O — CID 46312656

IUPAC3-fluoro-4-(3-fluorophenyl)phenol
SMILESOc1ccc(-c2cccc(F)c2)c(F)c1
InChIInChI=1S/C12H8F2O/c13-9-3-1-2-8(6-9)11-5-4-10(15)7-12(11)14/h1-7,15H
InChIKeyPJTKIUCJBNFPNF-UHFFFAOYSA-N
MW206.19 g/mol
LogP3.34
Rot. Bonds1

About 3-fluoro-4-(3-fluorophenyl)phenol

3-fluoro-4-(3-fluorophenyl)phenol (PubChem CID 46312656) has the molecular formula C12H8F2O and a molecular weight of 206.19 g/mol. Its IUPAC name is 3-fluoro-4-(3-fluorophenyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(3-fluorophenyl)phenol
PubChem CID46312656
Molecular FormulaC12H8F2O
Molecular Weight206.19 g/mol
Exact Mass206.05
IUPAC Name3-fluoro-4-(3-fluorophenyl)phenol
SMILESOc1ccc(-c2cccc(F)c2)c(F)c1
InChIInChI=1S/C12H8F2O/c13-9-3-1-2-8(6-9)11-5-4-10(15)7-12(11)14/h1-7,15H
InChIKeyPJTKIUCJBNFPNF-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-fluorophenyl)phenol?
The IUPAC name of 3-fluoro-4-(3-fluorophenyl)phenol (CID 46312656) is 3-fluoro-4-(3-fluorophenyl)phenol.
What is the SMILES notation for 3-fluoro-4-(3-fluorophenyl)phenol?
The canonical SMILES for 3-fluoro-4-(3-fluorophenyl)phenol is Oc1ccc(-c2cccc(F)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-fluorophenyl)phenol?
The InChIKey is PJTKIUCJBNFPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O/c13-9-3-1-2-8(6-9)11-5-4-10(15)7-12(11)14/h1-7,15H.
What are the key properties of 3-fluoro-4-(3-fluorophenyl)phenol?
3-fluoro-4-(3-fluorophenyl)phenol has a molecular weight of 206.19 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-fluorophenyl)phenol is sourced from PubChem (CID 46312656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).