6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol

C8H10F2O — CID 175534884

IUPAC6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=C(C)C(F)(F)C1O
InChIInChI=1S/C8H10F2O/c1-5-3-4-6(2)8(9,10)7(5)11/h3-4,7,11H,1-2H3
InChIKeyUTNDJHHJSQKPRG-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.89
Rot. Bonds

About 6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol

6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 175534884) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID175534884
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=C(C)C(F)(F)C1O
InChIInChI=1S/C8H10F2O/c1-5-3-4-6(2)8(9,10)7(5)11/h3-4,7,11H,1-2H3
InChIKeyUTNDJHHJSQKPRG-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol (CID 175534884) is 6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC=C(C)C(F)(F)C1O.
What is the InChIKey of 6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is UTNDJHHJSQKPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-5-3-4-6(2)8(9,10)7(5)11/h3-4,7,11H,1-2H3.
What are the key properties of 6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol?
6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 160.16 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2,5-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175534884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).