2,6-difluorophenol;2-fluorophenol

C12H9F3O2 — CID 160898350

IUPAC2,6-difluorophenol;2-fluorophenol
SMILESOc1c(F)cccc1F.Oc1ccccc1F
InChIInChI=1S/C6H4F2O.C6H5FO/c7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8/h1-3,9H;1-4,8H
InChIKeySPEDLYNRWWAGOK-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.20
Rot. Bonds

About 2,6-difluorophenol;2-fluorophenol

2,6-difluorophenol;2-fluorophenol (PubChem CID 160898350) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2,6-difluorophenol;2-fluorophenol.

Molecular Properties

Compound Name2,6-difluorophenol;2-fluorophenol
PubChem CID160898350
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name2,6-difluorophenol;2-fluorophenol
SMILESOc1c(F)cccc1F.Oc1ccccc1F
InChIInChI=1S/C6H4F2O.C6H5FO/c7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8/h1-3,9H;1-4,8H
InChIKeySPEDLYNRWWAGOK-UHFFFAOYSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 155164288
CID 155164288
bis(2,6-difluorophenol);zirconium
CID 161409047
bis(2-fluorophenol);zirconium(2+);dichloride
CID 174353098
acetonitrile;2-fluorophenol
CID 174966962
2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol
CID 174546410
ethane;2-fluoro-6-methylphenol
CID 162729094
2-amino-6-fluorophenol;hydrochloride
CID 174428630
3-fluorobenzene-1,2-diol;4-fluorobenzene-1,2-diol
CID 157115932
2-fluoro-6-(2-methylphenyl)phenol
CID 171109405
ethane;2-fluorophenol;(4-methylphenyl)methanamine
CID 156804974
2,3,5,6-tetrafluoro-4-(2-fluoro-6-hydroxyphenyl)phenol
CID 87916889
2-(bromomethyl)-6-fluorophenol
CID 86086661

Frequently Asked Questions

What is the IUPAC name of 2,6-difluorophenol;2-fluorophenol?
The IUPAC name of 2,6-difluorophenol;2-fluorophenol (CID 160898350) is 2,6-difluorophenol;2-fluorophenol.
What is the SMILES notation for 2,6-difluorophenol;2-fluorophenol?
The canonical SMILES for 2,6-difluorophenol;2-fluorophenol is Oc1c(F)cccc1F.Oc1ccccc1F.
What is the InChIKey of 2,6-difluorophenol;2-fluorophenol?
The InChIKey is SPEDLYNRWWAGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O.C6H5FO/c7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8/h1-3,9H;1-4,8H.
What are the key properties of 2,6-difluorophenol;2-fluorophenol?
2,6-difluorophenol;2-fluorophenol has a molecular weight of 242.20 g/mol, XLogP of 3.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluorophenol;2-fluorophenol is sourced from PubChem (CID 160898350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).