3,5-difluorophenol

C12H8F4O2 — CID 159284632

IUPAC3,5-difluorophenol
SMILESOc1cc(F)cc(F)c1.Oc1cc(F)cc(F)c1
InChIInChI=1S/2C6H4F2O/c2*7-4-1-5(8)3-6(9)2-4/h2*1-3,9H
InChIKeyKZIWDBAZDNGCBS-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.34
Rot. Bonds

About 3,5-difluorophenol

3,5-difluorophenol (PubChem CID 159284632) has the molecular formula C12H8F4O2 and a molecular weight of 260.19 g/mol. Its IUPAC name is 3,5-difluorophenol.

Molecular Properties

Compound Name3,5-difluorophenol
PubChem CID159284632
Molecular FormulaC12H8F4O2
Molecular Weight260.19 g/mol
Exact Mass260.05
IUPAC Name3,5-difluorophenol
SMILESOc1cc(F)cc(F)c1.Oc1cc(F)cc(F)c1
InChIInChI=1S/2C6H4F2O/c2*7-4-1-5(8)3-6(9)2-4/h2*1-3,9H
InChIKeyKZIWDBAZDNGCBS-UHFFFAOYSA-N
XLogP3.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluorophenol?
The IUPAC name of 3,5-difluorophenol (CID 159284632) is 3,5-difluorophenol.
What is the SMILES notation for 3,5-difluorophenol?
The canonical SMILES for 3,5-difluorophenol is Oc1cc(F)cc(F)c1.Oc1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluorophenol?
The InChIKey is KZIWDBAZDNGCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4F2O/c2*7-4-1-5(8)3-6(9)2-4/h2*1-3,9H.
What are the key properties of 3,5-difluorophenol?
3,5-difluorophenol has a molecular weight of 260.19 g/mol, XLogP of 3.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluorophenol is sourced from PubChem (CID 159284632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).