1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone

C8H4F4O2 — CID 19004302

IUPAC1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone
SMILESCC(=O)c1c(F)c(F)c(O)c(F)c1F
InChIInChI=1S/C8H4F4O2/c1-2(13)3-4(9)6(11)8(14)7(12)5(3)10/h14H,1H3
InChIKeyLWRKIWGVOONOCG-UHFFFAOYSA-N
MW208.11 g/mol
LogP2.15
Rot. Bonds1

About 1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone

1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone (PubChem CID 19004302) has the molecular formula C8H4F4O2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone
PubChem CID19004302
Molecular FormulaC8H4F4O2
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone
SMILESCC(=O)c1c(F)c(F)c(O)c(F)c1F
InChIInChI=1S/C8H4F4O2/c1-2(13)3-4(9)6(11)8(14)7(12)5(3)10/h14H,1H3
InChIKeyLWRKIWGVOONOCG-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)propan-1-one
CID 21138799
1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone
CID 164772496
1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone
CID 165347604
1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
CID 123835256
1-(2-acetyl-6-amino-3,4,5-trifluorophenyl)ethanone
CID 87737254
1-(3,5-dibromo-2,6-difluorophenyl)ethanone
CID 131033339
1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
CID 171017806
1-(3-amino-6-fluoro-2-hydroxyphenyl)ethanone
CID 131372695
1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone
CID 23235323
1-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propan-1-one
CID 164772507
CID 161433752
CID 161433752
2,3,4,5,6-pentafluorophenol;hydrochloride
CID 172845059

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone (CID 19004302) is 1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone is CC(=O)c1c(F)c(F)c(O)c(F)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone?
The InChIKey is LWRKIWGVOONOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2/c1-2(13)3-4(9)6(11)8(14)7(12)5(3)10/h14H,1H3.
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone?
1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone has a molecular weight of 208.11 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone is sourced from PubChem (CID 19004302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).