1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone

C8H8F2O2 — CID 70396095

IUPAC1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1C=CC(F)=CC1(O)F
InChIInChI=1S/C8H8F2O2/c1-5(11)7-3-2-6(9)4-8(7,10)12/h2-4,7,12H,1H3
InChIKeyPUJPYEAVHDTGRR-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.27
Rot. Bonds1

About 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone

1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 70396095) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
PubChem CID70396095
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1C=CC(F)=CC1(O)F
InChIInChI=1S/C8H8F2O2/c1-5(11)7-3-2-6(9)4-8(7,10)12/h2-4,7,12H,1H3
InChIKeyPUJPYEAVHDTGRR-UHFFFAOYSA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-Hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 46835418
2-Hydroxy-2-methyl-phenyl-propane-1-one
CID 66628308
1-(4,6-Difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one
CID 21661571
1-(5,6-Difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)propan-1-one
CID 67689841
1-(6-Fluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 69749997
1-[(1R)-3-fluoro-1-hydroxycyclohexa-2,4-dien-1-yl]propan-2-one
CID 70268674
2-Bromo-1-(6-fluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 87721021
1-(1-Hydroxycyclohexa-2,4-dien-1-yl)propan-2-one
CID 71774407
1-(1-Hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one
CID 141440234
1-(4,6-Dihydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 149055280
1-(2-Hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 154040736
1-(3,6-Dihydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 164033633

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone (CID 70396095) is 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone is CC(=O)C1C=CC(F)=CC1(O)F.
What is the InChIKey of 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is PUJPYEAVHDTGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c1-5(11)7-3-2-6(9)4-8(7,10)12/h2-4,7,12H,1H3.
What are the key properties of 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 174.15 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 70396095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).