2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol

C9H8F2O2 — CID 90939794

IUPAC2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
SMILESC=c1cc(O)c(=C)c(C(F)F)c1O
InChIInChI=1S/C9H8F2O2/c1-4-3-6(12)5(2)7(8(4)13)9(10)11/h3,9,12-13H,1-2H2
InChIKeyKDOFLMYEURDJSE-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.86
Rot. Bonds1

About 2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol

2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol (PubChem CID 90939794) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol.

Molecular Properties

Compound Name2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
PubChem CID90939794
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
SMILESC=c1cc(O)c(=C)c(C(F)F)c1O
InChIInChI=1S/C9H8F2O2/c1-4-3-6(12)5(2)7(8(4)13)9(10)11/h3,9,12-13H,1-2H2
InChIKeyKDOFLMYEURDJSE-UHFFFAOYSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.86
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

3,6-Dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 53931519
2-Methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 54372198
3-(Trifluoromethyl)cyclohexa-1,3-dien-1-ol
CID 17935665
5,6-Bis(fluoromethylidene)cyclohexa-1,3-diene-1,4-diol
CID 57222719
6-Methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
CID 70223356
2-[5-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol
CID 90892521
(2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol
CID 143740867
2-fluoro-4-[(3E)-4-fluoro-5-hydroxyhexa-1,3,5-trien-2-yl]cyclohexa-1,3-dien-1-ol
CID 145097174
(1Z)-1-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]buta-1,3-dien-1-ol
CID 147549097
2,6-Dimethyl-4-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diol
CID 164903191
4-(1,2,2,3,3,3-Hexafluoropropyl)cyclohexa-2,4-diene-1,1-diol
CID 175099247
6-Prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol
CID 175737859

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
The IUPAC name of 2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol (CID 90939794) is 2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol.
What is the SMILES notation for 2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
The canonical SMILES for 2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol is C=c1cc(O)c(=C)c(C(F)F)c1O.
What is the InChIKey of 2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
The InChIKey is KDOFLMYEURDJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-4-3-6(12)5(2)7(8(4)13)9(10)11/h3,9,12-13H,1-2H2.
What are the key properties of 2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol?
2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol has a molecular weight of 186.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol is sourced from PubChem (CID 90939794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).