2-(difluoromethyl)-6-methylbenzene-1,4-diol

C8H8F2O2 — CID 84654821

IUPAC2-(difluoromethyl)-6-methylbenzene-1,4-diol
SMILESCc1cc(O)cc(C(F)F)c1O
InChIInChI=1S/C8H8F2O2/c1-4-2-5(11)3-6(7(4)12)8(9)10/h2-3,8,11-12H,1H3
InChIKeyZHFBTPUFGUZUFG-UHFFFAOYSA-N
MW174.15 g/mol
LogP2.34
Rot. Bonds1

About 2-(difluoromethyl)-6-methylbenzene-1,4-diol

2-(difluoromethyl)-6-methylbenzene-1,4-diol (PubChem CID 84654821) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methylbenzene-1,4-diol
PubChem CID84654821
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name2-(difluoromethyl)-6-methylbenzene-1,4-diol
SMILESCc1cc(O)cc(C(F)F)c1O
InChIInChI=1S/C8H8F2O2/c1-4-2-5(11)3-6(7(4)12)8(9)10/h2-3,8,11-12H,1H3
InChIKeyZHFBTPUFGUZUFG-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol
CID 84669987
1-[2-(difluoromethyl)-4-hydroxy-6-methylphenyl]ethanone
CID 131329925
4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol
CID 117306626
4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
CID 117391230
ethyl 2-[3-(difluoromethyl)-4-hydroxy-5-methylphenyl]-2-oxoacetate
CID 117398681
4-[(1S)-1-amino-2,2-difluoroethyl]-3,5-dimethylphenol
CID 130682561
1-[3-(difluoromethyl)-4-hydroxy-5-methylphenyl]cyclohexane-1-carboxylic acid
CID 117457683
3-[3-(difluoromethyl)-4-hydroxy-5-methylphenyl]-1H-pyrazole-5-carboxylic acid
CID 136992010
4-[4-(difluoromethyl)phenyl]-3,5-dimethylphenol
CID 143276306
4-(difluoromethyl)-6-(hydroxymethyl)-2-methylpyridin-3-ol
CID 118834562
6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol
CID 130083736
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117289043

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methylbenzene-1,4-diol?
The IUPAC name of 2-(difluoromethyl)-6-methylbenzene-1,4-diol (CID 84654821) is 2-(difluoromethyl)-6-methylbenzene-1,4-diol.
What is the SMILES notation for 2-(difluoromethyl)-6-methylbenzene-1,4-diol?
The canonical SMILES for 2-(difluoromethyl)-6-methylbenzene-1,4-diol is Cc1cc(O)cc(C(F)F)c1O.
What is the InChIKey of 2-(difluoromethyl)-6-methylbenzene-1,4-diol?
The InChIKey is ZHFBTPUFGUZUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c1-4-2-5(11)3-6(7(4)12)8(9)10/h2-3,8,11-12H,1H3.
What are the key properties of 2-(difluoromethyl)-6-methylbenzene-1,4-diol?
2-(difluoromethyl)-6-methylbenzene-1,4-diol has a molecular weight of 174.15 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-methylbenzene-1,4-diol is sourced from PubChem (CID 84654821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).