2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone

C8H5F3O2 — CID 2761164

IUPAC2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
SMILESO=C(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C8H5F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,12H
InChIKeyHZRXGWSUNPYCQM-UHFFFAOYSA-N
MW190.12 g/mol
LogP2.14
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone

2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone (PubChem CID 2761164) has the molecular formula C8H5F3O2 and a molecular weight of 190.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
PubChem CID2761164
Molecular FormulaC8H5F3O2
Molecular Weight190.12 g/mol
Exact Mass190.02
IUPAC Name2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
SMILESO=C(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C8H5F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,12H
InChIKeyHZRXGWSUNPYCQM-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 11586385
1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone
CID 141298206
1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone
CID 146015296
2-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537618
2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone
CID 151955540
2,3,3,3-tetrafluoro-1-(2-hydroxyphenyl)propan-1-one
CID 12856740
ethane;ethene;1-(2-ethenylphenyl)-2,2,2-trifluoroethanone
CID 144759279
3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one
CID 85271929
1-[3-chloro-2-(2,2,2-trifluoroacetyl)phenyl]-2,2,2-trifluoroethanone
CID 87575430
(3Z)-4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxyphenyl)butan-1-one
CID 118239308
2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 159370745
1-[2-amino-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 98461840

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone (CID 2761164) is 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone is O=C(c1ccccc1O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone?
The InChIKey is HZRXGWSUNPYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,12H.
What are the key properties of 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone?
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone has a molecular weight of 190.12 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 2761164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).