1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone

C8H5F3O2 — CID 164772496

IUPAC1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1c(F)cc(F)c(F)c1O
InChIInChI=1S/C8H5F3O2/c1-3(12)6-4(9)2-5(10)7(11)8(6)13/h2,13H,1H3
InChIKeyZYFOPQDGSWISEG-UHFFFAOYSA-N
MW190.12 g/mol
LogP2.01
Rot. Bonds1

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

1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone (PubChem CID 164772496) has the molecular formula C8H5F3O2 and a molecular weight of 190.12 g/mol. Its IUPAC name is 1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone
PubChem CID164772496
Molecular FormulaC8H5F3O2
Molecular Weight190.12 g/mol
Exact Mass190.02
IUPAC Name1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone
SMILESCC(=O)c1c(F)cc(F)c(F)c1O
InChIInChI=1S/C8H5F3O2/c1-3(12)6-4(9)2-5(10)7(11)8(6)13/h2,13H,1H3
InChIKeyZYFOPQDGSWISEG-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 52.01
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-(3-chloro-2,5,6-trifluorophenyl)ethanone
CID 117298061
1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone
CID 19004302
1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone
CID 155324350
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
1-(2,4,6-trifluoro-3-propan-2-yloxyphenyl)ethanone
CID 164895831
1-(2,6-dibromo-3,4-difluorophenyl)ethanone
CID 119010401
1-(3-amino-6-fluoro-2-hydroxyphenyl)ethanone
CID 131372695
1-(2-bromo-3-fluoro-5,6-dihydroxyphenyl)ethanone
CID 117375058
2,3,5-trifluoro-6-hydroxybenzoic acid
CID 84820872
4-acetyl-3,5-difluorobenzaldehyde
CID 170901914
1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927
1-(3,5-dibromo-2,6-difluorophenyl)ethanone
CID 131033339

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone (CID 164772496) is 1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone is CC(=O)c1c(F)cc(F)c(F)c1O.
What is the InChIKey of 1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone?
The InChIKey is ZYFOPQDGSWISEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2/c1-3(12)6-4(9)2-5(10)7(11)8(6)13/h2,13H,1H3.
What are the key properties of 1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone?
1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone has a molecular weight of 190.12 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 164772496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).